benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

C24H24N2O3 — CID 4805903

IUPACbenzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H24N2O3/c27-23(25-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)26-24(28)29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)(H,26,28)
InChIKeyGXZBMLZFDOUPDZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.84
Rot. Bonds8

About benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 4805903) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID4805903
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Namebenzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H24N2O3/c27-23(25-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)26-24(28)29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)(H,26,28)
InChIKeyGXZBMLZFDOUPDZ-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[1-(benzylamino)-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

benzyl N-[1-(benzylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 56694181
benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 24854322
benzyl N-[(2R)-1-(benzylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 54125429
benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
CID 99653330
benzyl N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18287386
benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[12-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]dodecylamino]propan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 10843729
benzyl N-[(2S)-1-oxo-1-(2-oxoethylamino)-3-phenylpropan-2-yl]carbamate
CID 15488851
benzyl N-[(2R)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 18638334
benzyl N-[1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamate
CID 141145245
benzyl N-[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate;dihydroxy(oxo)phosphanium
CID 70147740
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 4805903) is benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is GXZBMLZFDOUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(25-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)26-24(28)29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)(H,26,28).
What are the key properties of benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 388.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 4805903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).