2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid

C20H24N2O5 — CID 18423744

IUPAC2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
SMILESO=C(O)N(CCO)CCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-14-13-21(19(24)25)11-12-22(15-17-7-3-1-4-8-17)20(26)27-16-18-9-5-2-6-10-18/h1-10,23H,11-16H2,(H,24,25)
InChIKeyITSVJOYSWPZLEY-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.80
Rot. Bonds9

About 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid

2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid (PubChem CID 18423744) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid.

Molecular Properties

Compound Name2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
PubChem CID18423744
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
SMILESO=C(O)N(CCO)CCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-14-13-21(19(24)25)11-12-22(15-17-7-3-1-4-8-17)20(26)27-16-18-9-5-2-6-10-18/h1-10,23H,11-16H2,(H,24,25)
InChIKeyITSVJOYSWPZLEY-UHFFFAOYSA-N
XLogP2.80
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid 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,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
benzyl N-benzyl-N-[(hydroxymethyldisulfanyl)methyl]carbamate
CID 90352441
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 132938956
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
CID 102250598
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
benzyl N-ethyl-N-propylcarbamate
CID 126656974
methyl (Z)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-bromopent-2-enoate
CID 11133799

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid?
The IUPAC name of 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid (CID 18423744) is 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid.
What is the SMILES notation for 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid?
The canonical SMILES for 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid is O=C(O)N(CCO)CCN(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid?
The InChIKey is ITSVJOYSWPZLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c23-14-13-21(19(24)25)11-12-22(15-17-7-3-1-4-8-17)20(26)27-16-18-9-5-2-6-10-18/h1-10,23H,11-16H2,(H,24,25).
What are the key properties of 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid?
2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid has a molecular weight of 372.42 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid is sourced from PubChem (CID 18423744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).