N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide

C24H29N3O4 — CID 55855187

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-19-13-11-18(12-14-19)23(29)27-21-10-6-5-9-20(21)24(30)26-16-15-25-22(28)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyDIFPKHMOWOGOAZ-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.37
Rot. Bonds8

About N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 55855187) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID55855187
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-19-13-11-18(12-14-19)23(29)27-21-10-6-5-9-20(21)24(30)26-16-15-25-22(28)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyDIFPKHMOWOGOAZ-UHFFFAOYSA-N
XLogP3.37
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537859
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
CID 17351262
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
2-[(4-methoxybenzoyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 78809748
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 55855187) is N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCCNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is DIFPKHMOWOGOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-31-19-13-11-18(12-14-19)23(29)27-21-10-6-5-9-20(21)24(30)26-16-15-25-22(28)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 423.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 55855187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).