phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C20H24N2O3 — CID 126010648

IUPACphenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-15(2)21-19(23)18(14-16-10-6-4-7-11-16)22-20(24)25-17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1
InChIKeyWISZUKIGOOPZIA-YJBOKZPZSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds7

About phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 126010648) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID126010648
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namephenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-15(2)21-19(23)18(14-16-10-6-4-7-11-16)22-20(24)25-17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1
InChIKeyWISZUKIGOOPZIA-YJBOKZPZSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[(2S)-4-amino-1-[[(2R)-butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 41329856
phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
CID 126004333
benzyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate
CID 126011117
benzyl N-[1-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55948171
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(1-phenylpropan-2-ylamino)propan-2-yl]carbamate
CID 148813145
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
benzyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 4054781
benzyl (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 14367196
phenyl N-[1-[[1-[[(2S,3S)-2-hydroxynonan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 100982788
2-(phenoxycarbonylamino)ethyl 2-(phenoxycarbonylamino)-3-phenylpropanoate
CID 146513968
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 59254472
benzyl N-[1-[[1-(1-hydroxypropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 18711713

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 126010648) is phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is WISZUKIGOOPZIA-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-15(2)21-19(23)18(14-16-10-6-4-7-11-16)22-20(24)25-17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1.
What are the key properties of phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?
phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 126010648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).