2-[acetyl(1-phenylethyl)amino]-N-propylacetamide

C15H22N2O2 — CID 113161938

IUPAC2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)C(C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-10-16-15(19)11-17(13(3)18)12(2)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,16,19)
InChIKeyQKQWNYPKGWDTBW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.12
Rot. Bonds6

About 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide

2-[acetyl(1-phenylethyl)amino]-N-propylacetamide (PubChem CID 113161938) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
PubChem CID113161938
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)C(C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-10-16-15(19)11-17(13(3)18)12(2)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,16,19)
InChIKeyQKQWNYPKGWDTBW-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982
N-[2-[acetyl(1-phenylethyl)amino]ethyl]propanamide
CID 113054420
2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113161978
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113162089
2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162045
2-[acetyl(1-phenylethyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113162068

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide (CID 113161938) is 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide is CCCNC(=O)CN(C(C)=O)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide?
The InChIKey is QKQWNYPKGWDTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10-16-15(19)11-17(13(3)18)12(2)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide?
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-propylacetamide is sourced from PubChem (CID 113161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).