2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide

C23H24N2O4 — CID 134132292

IUPAC2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=O)C(C)C)cc3)ccc12
InChIInChI=1S/C23H24N2O4/c1-14(2)23(28)25-17-7-4-16(5-8-17)6-11-21(26)24-18-9-10-19-15(3)12-22(27)29-20(19)13-18/h4-5,7-10,12-14H,6,11H2,1-3H3,(H,24,26)(H,25,28)
InChIKeySQUMEHZAJNBLOM-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.27
Rot. Bonds6

About 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide

2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide (PubChem CID 134132292) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
PubChem CID134132292
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=O)C(C)C)cc3)ccc12
InChIInChI=1S/C23H24N2O4/c1-14(2)23(28)25-17-7-4-16(5-8-17)6-11-21(26)24-18-9-10-19-15(3)12-22(27)29-20(19)13-18/h4-5,7-10,12-14H,6,11H2,1-3H3,(H,24,26)(H,25,28)
InChIKeySQUMEHZAJNBLOM-UHFFFAOYSA-N
XLogP4.27
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]carbamate
CID 134137608
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
(3R)-3-(3-carboxypropanoylamino)-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
CID 102186404
[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium
CID 7408691
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-sulfanylbutanamide
CID 71774819
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide (CID 134132292) is 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide is Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=O)C(C)C)cc3)ccc12.
What is the InChIKey of 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide?
The InChIKey is SQUMEHZAJNBLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14(2)23(28)25-17-7-4-16(5-8-17)6-11-21(26)24-18-9-10-19-15(3)12-22(27)29-20(19)13-18/h4-5,7-10,12-14H,6,11H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide?
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide is sourced from PubChem (CID 134132292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).