N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide

C30H37N3O2 — CID 175393058

IUPACN-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide
SMILESCCCCCCCCCc1ccccc1NNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H37N3O2/c1-2-3-4-5-6-7-9-14-25-15-12-13-18-28(25)32-33-30(35)27-21-19-24(20-22-27)23-31-29(34)26-16-10-8-11-17-26/h8,10-13,15-22,32H,2-7,9,14,23H2,1H3,(H,31,34)(H,33,35)
InChIKeyRZDFRYSOTYNSLG-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.67
Rot. Bonds14

About N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide

N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide (PubChem CID 175393058) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide
PubChem CID175393058
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide
SMILESCCCCCCCCCc1ccccc1NNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H37N3O2/c1-2-3-4-5-6-7-9-14-25-15-12-13-18-28(25)32-33-30(35)27-21-19-24(20-22-27)23-31-29(34)26-16-10-8-11-17-26/h8,10-13,15-22,32H,2-7,9,14,23H2,1H3,(H,31,34)(H,33,35)
InChIKeyRZDFRYSOTYNSLG-UHFFFAOYSA-N
XLogP6.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]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

N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
CID 139558708
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
(2-heptadecylphenyl)carbamic acid
CID 71374202
4-(benzamidomethyl)benzoic acid
CID 10879683
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
2-(2-dodecylanilino)acetic acid
CID 22628781
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
phenyl-(2-tridecylphenyl)methanone
CID 159151783
N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide (CID 175393058) is N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide is CCCCCCCCCc1ccccc1NNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide?
The InChIKey is RZDFRYSOTYNSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-2-3-4-5-6-7-9-14-25-15-12-13-18-28(25)32-33-30(35)27-21-19-24(20-22-27)23-31-29(34)26-16-10-8-11-17-26/h8,10-13,15-22,32H,2-7,9,14,23H2,1H3,(H,31,34)(H,33,35).
What are the key properties of N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide?
N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide has a molecular weight of 471.65 g/mol, XLogP of 6.67, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 175393058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).