3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C25H28N2O4 — CID 56556066

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccc(N4CCC(C)C4)cc3)c(=O)oc2c1
InChIInChI=1S/C25H28N2O4/c1-16-12-13-27(15-16)19-6-4-18(5-7-19)26-24(28)11-10-22-17(2)21-9-8-20(30-3)14-23(21)31-25(22)29/h4-9,14,16H,10-13,15H2,1-3H3,(H,26,28)
InChIKeyABTJUMPRSCHDAK-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.53
Rot. Bonds6

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56556066) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56556066
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccc(N4CCC(C)C4)cc3)c(=O)oc2c1
InChIInChI=1S/C25H28N2O4/c1-16-12-13-27(15-16)19-6-4-18(5-7-19)26-24(28)11-10-22-17(2)21-9-8-20(30-3)14-23(21)31-25(22)29/h4-9,14,16H,10-13,15H2,1-3H3,(H,26,28)
InChIKeyABTJUMPRSCHDAK-UHFFFAOYSA-N
XLogP4.53
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
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dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
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CID 55462019
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
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7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
CID 51296291
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 18103435
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55690999
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N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56556066) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is COc1ccc2c(C)c(CCC(=O)Nc3ccc(N4CCC(C)C4)cc3)c(=O)oc2c1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is ABTJUMPRSCHDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-16-12-13-27(15-16)19-6-4-18(5-7-19)26-24(28)11-10-22-17(2)21-9-8-20(30-3)14-23(21)31-25(22)29/h4-9,14,16H,10-13,15H2,1-3H3,(H,26,28).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 420.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56556066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).