N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide

C28H31N3O4 — CID 4942290

IUPACN-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C28H31N3O4/c1-3-4-5-10-19-35-25-14-9-8-13-24(25)28(34)31-30-26(32)21-15-17-22(18-16-21)29-27(33)23-12-7-6-11-20(23)2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyZUZGIHHBYDEFFF-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.28
Rot. Bonds10

About N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 4942290) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID4942290
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C28H31N3O4/c1-3-4-5-10-19-35-25-14-9-8-13-24(25)28(34)31-30-26(32)21-15-17-22(18-16-21)29-27(33)23-12-7-6-11-20(23)2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyZUZGIHHBYDEFFF-UHFFFAOYSA-N
XLogP5.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4948430
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
CID 17199073
2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167542
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide (CID 4942290) is N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide is CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is ZUZGIHHBYDEFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-3-4-5-10-19-35-25-14-9-8-13-24(25)28(34)31-30-26(32)21-15-17-22(18-16-21)29-27(33)23-12-7-6-11-20(23)2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 473.57 g/mol, XLogP of 5.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 4942290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).