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

C21H27NO4 — CID 134060988

IUPACN-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C1CCCC1
InChIInChI=1S/C21H27NO4/c1-4-22(15-7-5-6-8-15)20(23)12-11-18-14(2)17-10-9-16(25-3)13-19(17)26-21(18)24/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKeyBWHGHJFAZCHIFH-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.83
Rot. Bonds6

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

N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 134060988) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID134060988
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C1CCCC1
InChIInChI=1S/C21H27NO4/c1-4-22(15-7-5-6-8-15)20(23)12-11-18-14(2)17-10-9-16(25-3)13-19(17)26-21(18)24/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKeyBWHGHJFAZCHIFH-UHFFFAOYSA-N
XLogP3.83
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 24632596
N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 34449428
N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 51272059
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 40653207
3-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 134020798
ethyl 1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-4-carboxylate
CID 46689733
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 39889964
N-(3-amino-2,2-dimethylpropyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 119653240
N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 171909127
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 71951013
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 134060988) is N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is BWHGHJFAZCHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-22(15-7-5-6-8-15)20(23)12-11-18-14(2)17-10-9-16(25-3)13-19(17)26-21(18)24/h9-10,13,15H,4-8,11-12H2,1-3H3.
What are the key properties of N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 134060988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).