4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide

C59H62N4O7 — CID 166949905

IUPAC4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N(Cc3ccc4ccccc4c3)CC3CCCCC3)cc2OCc2ccccc2)ccc1NC(=O)c1ccc(N)c(OCCc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C59H62N4O7/c1-40(2)38-69-50-25-19-41(20-26-50)30-31-68-54-33-47(22-27-51(54)60)57(64)61-52-28-23-48(34-55(52)67-3)58(65)62-53-29-24-49(35-56(53)70-39-43-14-8-5-9-15-43)59(66)63(36-42-12-6-4-7-13-42)37-44-18-21-45-16-10-11-17-46(45)32-44/h5,8-11,14-29,32-35,40,42H,4,6-7,12-13,30-31,36-39,60H2,1-3H3,(H,61,64)(H,62,65)
InChIKeyAGGTXMDKEOFQOY-UHFFFAOYSA-N
MW939.17 g/mol
LogP12.39
Rot. Bonds20

About 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide

4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide (PubChem CID 166949905) has the molecular formula C59H62N4O7 and a molecular weight of 939.17 g/mol. Its IUPAC name is 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide
PubChem CID166949905
Molecular FormulaC59H62N4O7
Molecular Weight939.17 g/mol
Exact Mass938.46
IUPAC Name4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N(Cc3ccc4ccccc4c3)CC3CCCCC3)cc2OCc2ccccc2)ccc1NC(=O)c1ccc(N)c(OCCc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C59H62N4O7/c1-40(2)38-69-50-25-19-41(20-26-50)30-31-68-54-33-47(22-27-51(54)60)57(64)61-52-28-23-48(34-55(52)67-3)58(65)62-53-29-24-49(35-56(53)70-39-43-14-8-5-9-15-43)59(66)63(36-42-12-6-4-7-13-42)37-44-18-21-45-16-10-11-17-46(45)32-44/h5,8-11,14-29,32-35,40,42H,4,6-7,12-13,30-31,36-39,60H2,1-3H3,(H,61,64)(H,62,65)
InChIKeyAGGTXMDKEOFQOY-UHFFFAOYSA-N
XLogP12.39
TPSA141.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.17
LogP ≤ 512.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
methyl 4-[[4-[[4-[[4-amino-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoate
CID 71747586
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
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
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
CID 143404891
methyl 4-[[4-[[4-amino-3-(naphthalen-1-ylmethoxy)benzoyl]amino]-3-phenylmethoxybenzoyl]amino]-3-propan-2-yloxybenzoate
CID 24750545
4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779558
N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
CID 24807044
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
2-(diethylamino)ethyl 3-(2-methylpropoxy)-4-[3-(4-phenylmethoxyphenyl)propanoylamino]benzoate
CID 142099691
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide?
The IUPAC name of 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide (CID 166949905) is 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide.
What is the SMILES notation for 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide?
The canonical SMILES for 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide is COc1cc(C(=O)Nc2ccc(C(=O)N(Cc3ccc4ccccc4c3)CC3CCCCC3)cc2OCc2ccccc2)ccc1NC(=O)c1ccc(N)c(OCCc2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide?
The InChIKey is AGGTXMDKEOFQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H62N4O7/c1-40(2)38-69-50-25-19-41(20-26-50)30-31-68-54-33-47(22-27-51(54)60)57(64)61-52-28-23-48(34-55(52)67-3)58(65)62-53-29-24-49(35-56(53)70-39-43-14-8-5-9-15-43)59(66)63(36-42-12-6-4-7-13-42)37-44-18-21-45-16-10-11-17-46(45)32-44/h5,8-11,14-29,32-35,40,42H,4,6-7,12-13,30-31,36-39,60H2,1-3H3,(H,61,64)(H,62,65).
What are the key properties of 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide?
4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide has a molecular weight of 939.17 g/mol, XLogP of 12.39, 20 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[[4-[cyclohexylmethyl(naphthalen-2-ylmethyl)carbamoyl]-2-phenylmethoxyphenyl]carbamoyl]-2-methoxyphenyl]-3-[2-[4-(2-methylpropoxy)phenyl]ethoxy]benzamide is sourced from PubChem (CID 166949905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).