N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide

C20H23N3O4 — CID 2213045

IUPACN-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H23N3O4/c1-13(2)12-18(24)21-15-10-8-14(9-11-15)19(25)22-23-20(26)16-6-4-5-7-17(16)27-3/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNKYXKBVDLXJZSX-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.75
Rot. Bonds6

About N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide

N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide (PubChem CID 2213045) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide
PubChem CID2213045
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H23N3O4/c1-13(2)12-18(24)21-15-10-8-14(9-11-15)19(25)22-23-20(26)16-6-4-5-7-17(16)27-3/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNKYXKBVDLXJZSX-UHFFFAOYSA-N
XLogP2.75
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide 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

Salverine
CID 65585
N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 46785920
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic Acid
CID 2193203
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide
CID 14626558
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793
Methyl 2-(2-methoxybenzamido)benzoate
CID 650638
N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide sulfate salt (12h)
CID 77014314
Methyl 4-(3-phenoxypropanoylamino)benzoate
CID 725603

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide (CID 2213045) is N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide is COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
The InChIKey is NKYXKBVDLXJZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)12-18(24)21-15-10-8-14(9-11-15)19(25)22-23-20(26)16-6-4-5-7-17(16)27-3/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide has a molecular weight of 369.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 2213045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).