N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

C27H31NO4 — CID 34449428

IUPACN-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c(=O)oc2c1
InChIInChI=1S/C27H31NO4/c1-17(2)20-7-5-19(6-8-20)16-28(21-9-10-21)26(29)14-13-24-18(3)23-12-11-22(31-4)15-25(23)32-27(24)30/h5-8,11-12,15,17,21H,9-10,13-14,16H2,1-4H3
InChIKeyZBJTUMNOOBNHCM-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.36
Rot. Bonds8

About N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 34449428) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID34449428
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC NameN-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c(=O)oc2c1
InChIInChI=1S/C27H31NO4/c1-17(2)20-7-5-19(6-8-20)16-28(21-9-10-21)26(29)14-13-24-18(3)23-12-11-22(31-4)15-25(23)32-27(24)30/h5-8,11-12,15,17,21H,9-10,13-14,16H2,1-4H3
InChIKeyZBJTUMNOOBNHCM-UHFFFAOYSA-N
XLogP5.36
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.36
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-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 134060988
N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 24632596
N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 18164949
N-methoxy-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 51272059
N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 171909127
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
ethyl 1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-4-carboxylate
CID 46689733
3-[7-[(4-methoxyphenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid
CID 2927077
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048
methyl 4-[[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]methyl]benzoate
CID 18131820
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 40653207

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 34449428) is N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is COc1ccc2c(C)c(CCC(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c(=O)oc2c1.
What is the InChIKey of N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is ZBJTUMNOOBNHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-17(2)20-7-5-19(6-8-20)16-28(21-9-10-21)26(29)14-13-24-18(3)23-12-11-22(31-4)15-25(23)32-27(24)30/h5-8,11-12,15,17,21H,9-10,13-14,16H2,1-4H3.
What are the key properties of N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 433.55 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 34449428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).