[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate

C19H21NO4 — CID 17360234

IUPAC[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H21NO4/c1-5-18(21)24-16-9-7-14(11-17(16)23-4)19(22)20-15-8-6-12(2)13(3)10-15/h6-11H,5H2,1-4H3,(H,20,22)
InChIKeyTXSKPARSZDLHBE-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.88
Rot. Bonds5

About [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate

[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate (PubChem CID 17360234) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate
PubChem CID17360234
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H21NO4/c1-5-18(21)24-16-9-7-14(11-17(16)23-4)19(22)20-15-8-6-12(2)13(3)10-15/h6-11H,5H2,1-4H3,(H,20,22)
InChIKeyTXSKPARSZDLHBE-UHFFFAOYSA-N
XLogP3.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate 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

3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
[4-[(3-hydroxy-4-methoxyphenyl)carbamoyl]phenyl] propanoate
CID 17370703
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 23095968
N-[3-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902823
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 18226846
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902751

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate?
The IUPAC name of [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate (CID 17360234) is [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate.
What is the SMILES notation for [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate?
The canonical SMILES for [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate is CCC(=O)Oc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate?
The InChIKey is TXSKPARSZDLHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-5-18(21)24-16-9-7-14(11-17(16)23-4)19(22)20-15-8-6-12(2)13(3)10-15/h6-11H,5H2,1-4H3,(H,20,22).
What are the key properties of [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate?
[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate has a molecular weight of 327.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate is sourced from PubChem (CID 17360234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).