3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide

C18H21NO3 — CID 26878521

IUPAC3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCC3CCCC3)ccc12
InChIInChI=1S/C18H21NO3/c1-12-10-18(21)22-16-11-14(7-8-15(12)16)19-17(20)9-6-13-4-2-3-5-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,19,20)
InChIKeyZWBGVGYLCDTQKV-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.01
Rot. Bonds4

About 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide

3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide (PubChem CID 26878521) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
PubChem CID26878521
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCC3CCCC3)ccc12
InChIInChI=1S/C18H21NO3/c1-12-10-18(21)22-16-11-14(7-8-15(12)16)19-17(20)9-6-13-4-2-3-5-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,19,20)
InChIKeyZWBGVGYLCDTQKV-UHFFFAOYSA-N
XLogP4.01
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262533
N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
CID 134131876
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
N-(4-methyl-2-oxochromen-7-yl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 4639687
1-cyclooctyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650553
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
tert-butyl N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]carbamate
CID 134137608
5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
CID 10781094

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide (CID 26878521) is 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide is Cc1cc(=O)oc2cc(NC(=O)CCC3CCCC3)ccc12.
What is the InChIKey of 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The InChIKey is ZWBGVGYLCDTQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-10-18(21)22-16-11-14(7-8-15(12)16)19-17(20)9-6-13-4-2-3-5-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,19,20).
What are the key properties of 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide is sourced from PubChem (CID 26878521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).