ethyl N-(2-phenylethyl)-N-propanoylcarbamate

C14H19NO3 — CID 71095623

IUPACethyl N-(2-phenylethyl)-N-propanoylcarbamate
SMILESCCOC(=O)N(CCc1ccccc1)C(=O)CC
InChIInChI=1S/C14H19NO3/c1-3-13(16)15(14(17)18-4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyIEGRULXPBSOPQR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.62
Rot. Bonds5

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

ethyl N-(2-phenylethyl)-N-propanoylcarbamate (PubChem CID 71095623) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl N-(2-phenylethyl)-N-propanoylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-phenylethyl)-N-propanoylcarbamate
PubChem CID71095623
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl N-(2-phenylethyl)-N-propanoylcarbamate
SMILESCCOC(=O)N(CCc1ccccc1)C(=O)CC
InChIInChI=1S/C14H19NO3/c1-3-13(16)15(14(17)18-4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyIEGRULXPBSOPQR-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333
(3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide
CID 70054915
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-(2-phenylethyl)carbamate
CID 138598687
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
CID 139239943
CID 139239943
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
3-amino-N-benzyl-N-propanoylpropanamide
CID 155456873
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
2-phenylethyl N,N-dipropylcarbamate
CID 11096967

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-phenylethyl)-N-propanoylcarbamate?
The IUPAC name of ethyl N-(2-phenylethyl)-N-propanoylcarbamate (CID 71095623) is ethyl N-(2-phenylethyl)-N-propanoylcarbamate.
What is the SMILES notation for ethyl N-(2-phenylethyl)-N-propanoylcarbamate?
The canonical SMILES for ethyl N-(2-phenylethyl)-N-propanoylcarbamate is CCOC(=O)N(CCc1ccccc1)C(=O)CC.
What is the InChIKey of ethyl N-(2-phenylethyl)-N-propanoylcarbamate?
The InChIKey is IEGRULXPBSOPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-13(16)15(14(17)18-4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of ethyl N-(2-phenylethyl)-N-propanoylcarbamate?
ethyl N-(2-phenylethyl)-N-propanoylcarbamate has a molecular weight of 249.31 g/mol, XLogP of 2.62, 5 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-propanoylcarbamate is sourced from PubChem (CID 71095623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).