methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate

C19H22N2O3 — CID 20624106

IUPACmethyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(C)c(N)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-12-9-15(10-13(2)17(12)20)18(22)21-16(19(23)24-3)11-14-7-5-4-6-8-14/h4-10,16H,11,20H2,1-3H3,(H,21,22)
InChIKeyYLZHTGYPVSGEET-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.40
Rot. Bonds5

About methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate

methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate (PubChem CID 20624106) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
PubChem CID20624106
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(C)c(N)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-12-9-15(10-13(2)17(12)20)18(22)21-16(19(23)24-3)11-14-7-5-4-6-8-14/h4-10,16H,11,20H2,1-3H3,(H,21,22)
InChIKeyYLZHTGYPVSGEET-UHFFFAOYSA-N
XLogP2.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-hydroxypropanoate
CID 20624102
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylsulfanylpropanoate
CID 59949684
methyl (2S)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-4-methoxybutanoate
CID 59948534
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate (CID 20624106) is methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cc(C)c(N)c(C)c1.
What is the InChIKey of methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate?
The InChIKey is YLZHTGYPVSGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-9-15(10-13(2)17(12)20)18(22)21-16(19(23)24-3)11-14-7-5-4-6-8-14/h4-10,16H,11,20H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate?
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate has a molecular weight of 326.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 20624106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).