3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide

C16H23N3O2 — CID 142973982

IUPAC3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide
SMILESCNc1cc(NC(=O)CCC2CCCC2)ccc1NC=O
InChIInChI=1S/C16H23N3O2/c1-17-15-10-13(7-8-14(15)18-11-20)19-16(21)9-6-12-4-2-3-5-12/h7-8,10-12,17H,2-6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyXUXNKYFMHXQSKK-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.21
Rot. Bonds7

About 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide

3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide (PubChem CID 142973982) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide
PubChem CID142973982
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide
SMILESCNc1cc(NC(=O)CCC2CCCC2)ccc1NC=O
InChIInChI=1S/C16H23N3O2/c1-17-15-10-13(7-8-14(15)18-11-20)19-16(21)9-6-12-4-2-3-5-12/h7-8,10-12,17H,2-6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyXUXNKYFMHXQSKK-UHFFFAOYSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide
CID 39185368
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
CID 10781094
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide (CID 142973982) is 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide is CNc1cc(NC(=O)CCC2CCCC2)ccc1NC=O.
What is the InChIKey of 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide?
The InChIKey is XUXNKYFMHXQSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-15-10-13(7-8-14(15)18-11-20)19-16(21)9-6-12-4-2-3-5-12/h7-8,10-12,17H,2-6,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide?
3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide is sourced from PubChem (CID 142973982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).