ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate

C15H22N2O3 — CID 113055587

IUPACethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)16-10-12-17(13(2)18)11-9-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,16,19)
InChIKeyOFRTUFZFSAKYKA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.82
Rot. Bonds7

About ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate

ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate (PubChem CID 113055587) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
PubChem CID113055587
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)16-10-12-17(13(2)18)11-9-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,16,19)
InChIKeyOFRTUFZFSAKYKA-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
CID 113055776
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 113055468
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
CID 113055545
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
benzene;ethyl N-benzylcarbamate
CID 67715166

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate (CID 113055587) is ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate is CCOC(=O)NCCN(CCc1ccccc1)C(C)=O.
What is the InChIKey of ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate?
The InChIKey is OFRTUFZFSAKYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(19)16-10-12-17(13(2)18)11-9-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,16,19).
What are the key properties of ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate?
ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate is sourced from PubChem (CID 113055587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).