N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide

C24H24N2O5 — CID 55462019

IUPACN-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)c(=O)oc2c1
InChIInChI=1S/C24H24N2O5/c1-14-19-9-8-18(30-2)13-21(19)31-24(29)20(14)10-11-22(27)25-17-5-3-4-15(12-17)23(28)26-16-6-7-16/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUPQZESLPRIIYHF-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.57
Rot. Bonds7

About N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide

N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide (PubChem CID 55462019) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide
PubChem CID55462019
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)c(=O)oc2c1
InChIInChI=1S/C24H24N2O5/c1-14-19-9-8-18(30-2)13-21(19)31-24(29)20(14)10-11-22(27)25-17-5-3-4-15(12-17)23(28)26-16-6-7-16/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUPQZESLPRIIYHF-UHFFFAOYSA-N
XLogP3.57
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783619
N-(3-cyanophenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51271966
dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 34464629
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 119455918
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 41062204
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556066
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
ethyl 3-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzoate
CID 6237174
2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42924141
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 18103435

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide (CID 55462019) is N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide is COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)c(=O)oc2c1.
What is the InChIKey of N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide?
The InChIKey is UPQZESLPRIIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-19-9-8-18(30-2)13-21(19)31-24(29)20(14)10-11-22(27)25-17-5-3-4-15(12-17)23(28)26-16-6-7-16/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide?
N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 55462019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).