ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate

C19H22N2O3 — CID 9427411

IUPACethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-19(23)21-17-11-9-16(10-12-17)18(22)20-13-14(2)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyYQUNTZHATBKVJF-CQSZACIVSA-N
MW326.40 g/mol
LogP3.79
Rot. Bonds6

About ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate

ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate (PubChem CID 9427411) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate
PubChem CID9427411
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-19(23)21-17-11-9-16(10-12-17)18(22)20-13-14(2)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyYQUNTZHATBKVJF-CQSZACIVSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]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-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(ethoxycarbonylamino)benzoate
CID 46544767
[(2S)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938445
[(2R)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938442
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
4-ethoxy-3-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 100550465
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
methyl 4-[1-(ethoxycarbonylamino)propan-2-yl]benzoate
CID 71252299
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate (CID 9427411) is ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate?
The InChIKey is YQUNTZHATBKVJF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-19(23)21-17-11-9-16(10-12-17)18(22)20-13-14(2)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1.
What are the key properties of ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate?
ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9427411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).