methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate

C19H22N2O3 — CID 3493714

IUPACmethyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(18(22)24-2)21-19(23)20-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H2,20,21,23)
InChIKeyJENXRPSOYQJVSD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.68
Rot. Bonds6

About methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate

methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate (PubChem CID 3493714) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
PubChem CID3493714
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(18(22)24-2)21-19(23)20-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H2,20,21,23)
InChIKeyJENXRPSOYQJVSD-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
methyl (2S)-2-benzamidopropanoate
CID 6364617
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate?
The IUPAC name of methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate (CID 3493714) is methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate.
What is the SMILES notation for methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate?
The canonical SMILES for methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate is COC(=O)C(C)NC(=O)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate?
The InChIKey is JENXRPSOYQJVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(18(22)24-2)21-19(23)20-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H2,20,21,23).
What are the key properties of methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate?
methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate has a molecular weight of 326.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate is sourced from PubChem (CID 3493714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).