N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide

C13H17N3O2 — CID 177007541

IUPACN-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
SMILESCNNC(=O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C13H17N3O2/c1-14-16-13(18)10-5-7-11(8-6-10)15-12(17)9-3-2-4-9/h5-9,14H,2-4H2,1H3,(H,15,17)(H,16,18)
InChIKeyOYMWXTBKJRVTAU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.29
Rot. Bonds4

About N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide

N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide (PubChem CID 177007541) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
PubChem CID177007541
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
SMILESCNNC(=O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C13H17N3O2/c1-14-16-13(18)10-5-7-11(8-6-10)15-12(17)9-3-2-4-9/h5-9,14H,2-4H2,1H3,(H,15,17)(H,16,18)
InChIKeyOYMWXTBKJRVTAU-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide 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-acetylphenyl)cyclobutanecarboxamide
CID 877885
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1013445
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 4924002
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide (CID 177007541) is N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide is CNNC(=O)c1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide?
The InChIKey is OYMWXTBKJRVTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-16-13(18)10-5-7-11(8-6-10)15-12(17)9-3-2-4-9/h5-9,14H,2-4H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide?
N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 177007541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).