N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C22H22N2O5 — CID 42941413

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1
InChIInChI=1S/C22H22N2O5/c1-12-5-8-18(14(3)9-12)23-22(27)24-21(26)15(4)28-16-6-7-17-13(2)10-20(25)29-19(17)11-16/h5-11,15H,1-4H3,(H2,23,24,26,27)
InChIKeyVIZREKQWYZGPIX-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.83
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 42941413) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID42941413
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1
InChIInChI=1S/C22H22N2O5/c1-12-5-8-18(14(3)9-12)23-22(27)24-21(26)15(4)28-16-6-7-17-13(2)10-20(25)29-19(17)11-16/h5-11,15H,1-4H3,(H2,23,24,26,27)
InChIKeyVIZREKQWYZGPIX-UHFFFAOYSA-N
XLogP3.83
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
(2R)-N-(2,5-dichlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967861
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 42941413) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1ccc(NC(=O)NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is VIZREKQWYZGPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-12-5-8-18(14(3)9-12)23-22(27)24-21(26)15(4)28-16-6-7-17-13(2)10-20(25)29-19(17)11-16/h5-11,15H,1-4H3,(H2,23,24,26,27).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 394.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 42941413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).