(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

C24H22ClNO4 — CID 3916130

IUPAC(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(NC(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1)OCc1ccccc1
InChIInChI=1S/C24H22ClNO4/c25-21-13-11-20(12-14-21)16-29-23(27)22(15-18-7-3-1-4-8-18)26-24(28)30-17-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,26,28)
InChIKeyGVWPNEYBJPCHOH-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.92
Rot. Bonds8

About (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 3916130) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID3916130
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(NC(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1)OCc1ccccc1
InChIInChI=1S/C24H22ClNO4/c25-21-13-11-20(12-14-21)16-29-23(27)22(15-18-7-3-1-4-8-18)26-24(28)30-17-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,26,28)
InChIKeyGVWPNEYBJPCHOH-UHFFFAOYSA-N
XLogP4.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
2,2,2-trifluoroethyl (2R)-3-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 102506148
benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
benzyl (2R)-3-(4-chlorophenyl)-2-[[(2R)-2-iodopropanoyl]amino]propanoate
CID 126591111
benzyl (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 14420293
benzyl 3-(4-amino-3-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 141301976
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
(4-nitrophenyl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 51905805
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (CID 3916130) is (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is O=C(NC(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1)OCc1ccccc1.
What is the InChIKey of (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is GVWPNEYBJPCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c25-21-13-11-20(12-14-21)16-29-23(27)22(15-18-7-3-1-4-8-18)26-24(28)30-17-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,26,28).
What are the key properties of (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 423.90 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 3916130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).