methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate

C19H22N2O3 — CID 3720854

IUPACmethyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H22N2O3/c1-13-9-10-14(2)16(11-13)20-19(23)21-17(18(22)24-3)12-15-7-5-4-6-8-15/h4-11,17H,12H2,1-3H3,(H2,20,21,23)
InChIKeyFDKJCCZFAHJPPA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate

methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 3720854) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID3720854
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H22N2O3/c1-13-9-10-14(2)16(11-13)20-19(23)21-17(18(22)24-3)12-15-7-5-4-6-8-15/h4-11,17H,12H2,1-3H3,(H2,20,21,23)
InChIKeyFDKJCCZFAHJPPA-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8575247
2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 3810031
methyl (2S)-2-[[2-(2,5-dimethylphenyl)-2-oxoethoxy]carbonylamino]-3-phenylpropanoate
CID 15981666
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
benzyl N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 23822673
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
(2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537366
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate (CID 3720854) is methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is FDKJCCZFAHJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-10-14(2)16(11-13)20-19(23)21-17(18(22)24-3)12-15-7-5-4-6-8-15/h4-11,17H,12H2,1-3H3,(H2,20,21,23).
What are the key properties of methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate?
methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 326.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 3720854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).