3-phenylbutyl N-(2-acetamidoethyl)carbamate

C15H22N2O3 — CID 6734518

IUPAC3-phenylbutyl N-(2-acetamidoethyl)carbamate
SMILESCC(=O)NCCNC(=O)OCCC(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(14-6-4-3-5-7-14)8-11-20-15(19)17-10-9-16-13(2)18/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQRNQGRMFIKMBGL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds7

About 3-phenylbutyl N-(2-acetamidoethyl)carbamate

3-phenylbutyl N-(2-acetamidoethyl)carbamate (PubChem CID 6734518) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-phenylbutyl N-(2-acetamidoethyl)carbamate.

Molecular Properties

Compound Name3-phenylbutyl N-(2-acetamidoethyl)carbamate
PubChem CID6734518
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-phenylbutyl N-(2-acetamidoethyl)carbamate
SMILESCC(=O)NCCNC(=O)OCCC(C)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(14-6-4-3-5-7-14)8-11-20-15(19)17-10-9-16-13(2)18/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQRNQGRMFIKMBGL-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
CID 6734048
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
[(3R)-3-phenylbutyl] acetate
CID 12598598
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
2,2,2-trifluoroethyl N-[3-oxo-3-[[(3R)-3-phenylbutyl]amino]propyl]carbamate
CID 95287422
2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate
CID 108570960
3-phenylbutyl pentanoate
CID 101292557
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
3-phenylbutoxymethanedithioic acid
CID 87458126
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-(3-phenylbutyl)benzamide
CID 62403316

Frequently Asked Questions

What is the IUPAC name of 3-phenylbutyl N-(2-acetamidoethyl)carbamate?
The IUPAC name of 3-phenylbutyl N-(2-acetamidoethyl)carbamate (CID 6734518) is 3-phenylbutyl N-(2-acetamidoethyl)carbamate.
What is the SMILES notation for 3-phenylbutyl N-(2-acetamidoethyl)carbamate?
The canonical SMILES for 3-phenylbutyl N-(2-acetamidoethyl)carbamate is CC(=O)NCCNC(=O)OCCC(C)c1ccccc1.
What is the InChIKey of 3-phenylbutyl N-(2-acetamidoethyl)carbamate?
The InChIKey is QRNQGRMFIKMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(14-6-4-3-5-7-14)8-11-20-15(19)17-10-9-16-13(2)18/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-phenylbutyl N-(2-acetamidoethyl)carbamate?
3-phenylbutyl N-(2-acetamidoethyl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutyl N-(2-acetamidoethyl)carbamate is sourced from PubChem (CID 6734518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).