4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide

C91H81N9O18 — CID 159019503

IUPAC4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc3ccccc3c2)c1.CCCOc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc3ccccc3c2)c1.NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCc3ccc4ccccc4c3)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C33H27N3O6.2C29H27N3O6/c34-32(37)26-12-14-28(30(19-26)42-21-23-6-2-1-3-7-23)35-33(38)27-13-15-29(36(39)40)31(20-27)41-17-16-22-10-11-24-8-4-5-9-25(24)18-22;1-18(2)38-26-16-22(28(30)33)9-11-24(26)31-29(34)23-10-12-25(32(35)36)27(17-23)37-14-13-19-7-8-20-5-3-4-6-21(20)15-19;1-2-14-37-26-17-22(28(30)33)9-11-24(26)31-29(34)23-10-12-25(32(35)36)27(18-23)38-15-13-19-7-8-20-5-3-4-6-21(20)16-19/h1-15,18-20H,16-17,21H2,(H2,34,37)(H,35,38);3-12,15-18H,13-14H2,1-2H3,(H2,30,33)(H,31,34);3-12,16-18H,2,13-15H2,1H3,(H2,30,33)(H,31,34)
InChIKeyJTMYCRIFTVQYSL-UHFFFAOYSA-N
MW1588.69 g/mol
LogP17.32
Rot. Bonds32

About 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide

4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide (PubChem CID 159019503) has the molecular formula C91H81N9O18 and a molecular weight of 1588.69 g/mol. Its IUPAC name is 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide.

Molecular Properties

Compound Name4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide
PubChem CID159019503
Molecular FormulaC91H81N9O18
Molecular Weight1588.69 g/mol
Exact Mass1587.57
IUPAC Name4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc3ccccc3c2)c1.CCCOc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc3ccccc3c2)c1.NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCc3ccc4ccccc4c3)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C33H27N3O6.2C29H27N3O6/c34-32(37)26-12-14-28(30(19-26)42-21-23-6-2-1-3-7-23)35-33(38)27-13-15-29(36(39)40)31(20-27)41-17-16-22-10-11-24-8-4-5-9-25(24)18-22;1-18(2)38-26-16-22(28(30)33)9-11-24(26)31-29(34)23-10-12-25(32(35)36)27(17-23)37-14-13-19-7-8-20-5-3-4-6-21(20)15-19;1-2-14-37-26-17-22(28(30)33)9-11-24(26)31-29(34)23-10-12-25(32(35)36)27(18-23)38-15-13-19-7-8-20-5-3-4-6-21(20)16-19/h1-15,18-20H,16-17,21H2,(H2,34,37)(H,35,38);3-12,15-18H,13-14H2,1-2H3,(H2,30,33)(H,31,34);3-12,16-18H,2,13-15H2,1H3,(H2,30,33)(H,31,34)
InChIKeyJTMYCRIFTVQYSL-UHFFFAOYSA-N
XLogP17.32
TPSA401.37 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001588.69
LogP ≤ 517.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide with MolForge

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Related Compounds

3-butoxy-4-[(3-butoxy-4-nitrobenzoyl)amino]benzamide;4-[[3-(2-methylpropoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide;3-(2-methylpropoxy)-4-[[4-[(4-nitro-3-propan-2-yloxybenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]benzamide
CID 159061267
3-methoxy-4-[[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethoxy]-4-nitrobenzoyl]amino]-N-[4-(naphthalen-2-ylmethylcarbamoyl)-2-phenylmethoxyphenyl]benzamide
CID 177102021
4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide
CID 54755977
N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
CID 24807044
4-[(5-methyl-2-nitrophenoxy)methyl]-N-phenylbenzamide
CID 42018969
N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide
CID 71201807
N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
4-amino-N-[4-[[4-[ethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethoxy]benzamide
CID 162701185
methyl 4-[[4-[[4-amino-3-(naphthalen-1-ylmethoxy)benzoyl]amino]-3-phenylmethoxybenzoyl]amino]-3-propan-2-yloxybenzoate
CID 24750545
4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate
CID 159751491
ethyl 4-[(3-nitro-4-phenylmethoxybenzoyl)amino]benzoate
CID 66788761
3-(3-naphthalen-2-ylpropanoyloxy)-4-nitrobenzoic acid
CID 86220902

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide?
The IUPAC name of 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide (CID 159019503) is 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide.
What is the SMILES notation for 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide?
The canonical SMILES for 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide is CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc3ccccc3c2)c1.CCCOc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCCc2ccc3ccccc3c2)c1.NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCCc3ccc4ccccc4c3)c2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide?
The InChIKey is JTMYCRIFTVQYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O6.2C29H27N3O6/c34-32(37)26-12-14-28(30(19-26)42-21-23-6-2-1-3-7-23)35-33(38)27-13-15-29(36(39)40)31(20-27)41-17-16-22-10-11-24-8-4-5-9-25(24)18-22;1-18(2)38-26-16-22(28(30)33)9-11-24(26)31-29(34)23-10-12-25(32(35)36)27(17-23)37-14-13-19-7-8-20-5-3-4-6-21(20)15-19;1-2-14-37-26-17-22(28(30)33)9-11-24(26)31-29(34)23-10-12-25(32(35)36)27(18-23)38-15-13-19-7-8-20-5-3-4-6-21(20)16-19/h1-15,18-20H,16-17,21H2,(H2,34,37)(H,35,38);3-12,15-18H,13-14H2,1-2H3,(H2,30,33)(H,31,34);3-12,16-18H,2,13-15H2,1H3,(H2,30,33)(H,31,34).
What are the key properties of 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide?
4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide has a molecular weight of 1588.69 g/mol, XLogP of 17.32, 32 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide is sourced from PubChem (CID 159019503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).