N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide

C16H25N3O2 — CID 82014074

IUPACN-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCC(C)CN)c1
InChIInChI=1S/C16H25N3O2/c1-11(10-17)7-8-16(21)18-12(2)14-5-4-6-15(9-14)19-13(3)20/h4-6,9,11-12H,7-8,10,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyVIFOWOARXLEAJL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.20
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide

N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide (PubChem CID 82014074) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
PubChem CID82014074
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCC(C)CN)c1
InChIInChI=1S/C16H25N3O2/c1-11(10-17)7-8-16(21)18-12(2)14-5-4-6-15(9-14)19-13(3)20/h4-6,9,11-12H,7-8,10,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyVIFOWOARXLEAJL-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60979759
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide (CID 82014074) is N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide is CC(=O)Nc1cccc(C(C)NC(=O)CCC(C)CN)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide?
The InChIKey is VIFOWOARXLEAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(10-17)7-8-16(21)18-12(2)14-5-4-6-15(9-14)19-13(3)20/h4-6,9,11-12H,7-8,10,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide?
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide has a molecular weight of 291.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide is sourced from PubChem (CID 82014074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).