ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate

C18H21NO3 — CID 125470333

IUPACethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
SMILESCCOC(=O)N(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-21-18(20)19(14-13-16-9-5-3-6-10-16)22-15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyJHMUWRDZIQVFSB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.82
Rot. Bonds7

About ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate

ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate (PubChem CID 125470333) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate.

Molecular Properties

Compound Nameethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
PubChem CID125470333
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
SMILESCCOC(=O)N(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-21-18(20)19(14-13-16-9-5-3-6-10-16)22-15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyJHMUWRDZIQVFSB-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
1-benzyl-1-phenylmethoxyurea
CID 22444379
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
N-phenylmethoxyacetohydrazide
CID 174450270
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
ethyl 2-[2-oxopropyl(phenylmethoxy)amino]acetate
CID 174328057
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate
CID 119089437

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate?
The IUPAC name of ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate (CID 125470333) is ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate.
What is the SMILES notation for ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate?
The canonical SMILES for ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate is CCOC(=O)N(CCc1ccccc1)OCc1ccccc1.
What is the InChIKey of ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate?
The InChIKey is JHMUWRDZIQVFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-21-18(20)19(14-13-16-9-5-3-6-10-16)22-15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate?
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate has a molecular weight of 299.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate is sourced from PubChem (CID 125470333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).