benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate

C24H23NO4 — CID 102386370

IUPACbenzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCOc1ccc(C(CC(=O)c2ccccc2)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-14-12-19(13-15-21)22(16-23(26)20-10-6-3-7-11-20)25-24(27)29-17-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyAWWVYRYDXOZCGV-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.94
Rot. Bonds8

About benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate

benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate (PubChem CID 102386370) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
PubChem CID102386370
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namebenzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCOc1ccc(C(CC(=O)c2ccccc2)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-14-12-19(13-15-21)22(16-23(26)20-10-6-3-7-11-20)25-24(27)29-17-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyAWWVYRYDXOZCGV-UHFFFAOYSA-N
XLogP4.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]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

ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 12000243
benzyl N-[1-(4-methoxyphenyl)but-3-enyl]carbamate
CID 11392783
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
methyl N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102020553
(3R)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 7062378
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The IUPAC name of benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate (CID 102386370) is benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The canonical SMILES for benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate is COc1ccc(C(CC(=O)c2ccccc2)NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The InChIKey is AWWVYRYDXOZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-21-14-12-19(13-15-21)22(16-23(26)20-10-6-3-7-11-20)25-24(27)29-17-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,25,27).
What are the key properties of benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate has a molecular weight of 389.45 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate is sourced from PubChem (CID 102386370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).