[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate

C23H28N2O5 — CID 18209777

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate
SMILESCOc1ccc(NC(=O)c2ccc(COC(=O)C(C)NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O5/c1-15(24-22(28)23(2,3)4)21(27)30-14-16-6-8-17(9-7-16)20(26)25-18-10-12-19(29-5)13-11-18/h6-13,15H,14H2,1-5H3,(H,24,28)(H,25,26)
InChIKeyFOARVNDECRDAAH-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.54
Rot. Bonds7

About [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate

[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 18209777) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID18209777
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate
SMILESCOc1ccc(NC(=O)c2ccc(COC(=O)C(C)NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O5/c1-15(24-22(28)23(2,3)4)21(27)30-14-16-6-8-17(9-7-16)20(26)25-18-10-12-19(29-5)13-11-18/h6-13,15H,14H2,1-5H3,(H,24,28)(H,25,26)
InChIKeyFOARVNDECRDAAH-UHFFFAOYSA-N
XLogP3.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)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

[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
CID 24557435
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate
CID 55484686
(4-tert-butylphenyl)methyl (2S)-2-(carbamoylamino)propanoate
CID 2430135

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate (CID 18209777) is [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate is COc1ccc(NC(=O)c2ccc(COC(=O)C(C)NC(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is FOARVNDECRDAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15(24-22(28)23(2,3)4)21(27)30-14-16-6-8-17(9-7-16)20(26)25-18-10-12-19(29-5)13-11-18/h6-13,15H,14H2,1-5H3,(H,24,28)(H,25,26).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 412.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 18209777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).