ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate

C19H22N2O3 — CID 60612388

IUPACethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate
SMILESCCOC(=O)C(CNC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-18(22)16(13-15-9-5-3-6-10-15)14-20-19(23)21-17-11-7-4-8-12-17/h3-12,16H,2,13-14H2,1H3,(H2,20,21,23)
InChIKeyQLDCCWQSIFLZGH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.23
Rot. Bonds7

About ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate

ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate (PubChem CID 60612388) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate
PubChem CID60612388
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate
SMILESCCOC(=O)C(CNC(=O)Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-18(22)16(13-15-9-5-3-6-10-15)14-20-19(23)21-17-11-7-4-8-12-17/h3-12,16H,2,13-14H2,1H3,(H2,20,21,23)
InChIKeyQLDCCWQSIFLZGH-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-benzyl-3-[(4-nitrophenyl)carbamoylamino]propanoate
CID 60612325
ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate
CID 94215480
ethyl (2S)-2-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-3-phenylpropanoate
CID 94800392
(3R)-3-benzyl-4-ethoxy-4-oxobutanoic acid
CID 15021598
diethyl (2S)-2-benzylbutanedioate
CID 24748926
ethyl 2-benzyl-3-(12-methoxydodecanoylamino)propanoate
CID 15432308
1-O-benzyl 4-O-tert-butyl (2S)-2-[(phenylcarbamoylamino)methyl]butanedioate
CID 58301914
ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate
CID 52513406
ethyl 2-benzyl-3-(isoquinoline-1-carbonylamino)propanoate
CID 60612136
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
CID 61381164
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate?
The IUPAC name of ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate (CID 60612388) is ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate is CCOC(=O)C(CNC(=O)Nc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate?
The InChIKey is QLDCCWQSIFLZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-18(22)16(13-15-9-5-3-6-10-15)14-20-19(23)21-17-11-7-4-8-12-17/h3-12,16H,2,13-14H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate?
ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate has a molecular weight of 326.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 60612388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).