N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide

C44H47N3O6 — CID 71201807

IUPACN-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)c(OC(C)C)c2)c(OCc2ccc(C)cc2)c1
InChIInChI=1S/C44H47N3O6/c1-6-7-23-45-42(48)34-19-21-37(40(25-34)52-28-33-16-13-30(4)14-17-33)46-44(50)36-20-22-38(41(26-36)53-29(2)3)47-43(49)35-18-15-31(5)39(24-35)51-27-32-11-9-8-10-12-32/h8-22,24-26,29H,6-7,23,27-28H2,1-5H3,(H,45,48)(H,46,50)(H,47,49)
InChIKeyFLODUQRTUXJCIC-UHFFFAOYSA-N
MW713.88 g/mol
LogP9.28
Rot. Bonds16

About N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide

N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide (PubChem CID 71201807) has the molecular formula C44H47N3O6 and a molecular weight of 713.88 g/mol. Its IUPAC name is N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide
PubChem CID71201807
Molecular FormulaC44H47N3O6
Molecular Weight713.88 g/mol
Exact Mass713.35
IUPAC NameN-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)c(OC(C)C)c2)c(OCc2ccc(C)cc2)c1
InChIInChI=1S/C44H47N3O6/c1-6-7-23-45-42(48)34-19-21-37(40(25-34)52-28-33-16-13-30(4)14-17-33)46-44(50)36-20-22-38(41(26-36)53-29(2)3)47-43(49)35-18-15-31(5)39(24-35)51-27-32-11-9-8-10-12-32/h8-22,24-26,29H,6-7,23,27-28H2,1-5H3,(H,45,48)(H,46,50)(H,47,49)
InChIKeyFLODUQRTUXJCIC-UHFFFAOYSA-N
XLogP9.28
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 59.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
CID 54793446
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
methyl 4-[[4-[[4-amino-3-(naphthalen-1-ylmethoxy)benzoyl]amino]-3-phenylmethoxybenzoyl]amino]-3-propan-2-yloxybenzoate
CID 24750545
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
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
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
N-pentyl-3-phenylmethoxybenzamide
CID 112759707

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide (CID 71201807) is N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide is CCCCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)c(OC(C)C)c2)c(OCc2ccc(C)cc2)c1.
What is the InChIKey of N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide?
The InChIKey is FLODUQRTUXJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N3O6/c1-6-7-23-45-42(48)34-19-21-37(40(25-34)52-28-33-16-13-30(4)14-17-33)46-44(50)36-20-22-38(41(26-36)53-29(2)3)47-43(49)35-18-15-31(5)39(24-35)51-27-32-11-9-8-10-12-32/h8-22,24-26,29H,6-7,23,27-28H2,1-5H3,(H,45,48)(H,46,50)(H,47,49).
What are the key properties of N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide?
N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide has a molecular weight of 713.88 g/mol, XLogP of 9.28, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(butylcarbamoyl)-2-[(4-methylphenyl)methoxy]phenyl]carbamoyl]-2-propan-2-yloxyphenyl]-4-methyl-3-phenylmethoxybenzamide is sourced from PubChem (CID 71201807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).