N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide

C14H21N3O2 — CID 54880253

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CC(C)N)c1
InChIInChI=1S/C14H21N3O2/c1-9(15)7-14(19)16-10(2)12-5-4-6-13(8-12)17-11(3)18/h4-6,8-10H,7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFNQVOAPPAFJXHR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide

N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide (PubChem CID 54880253) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
PubChem CID54880253
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CC(C)N)c1
InChIInChI=1S/C14H21N3O2/c1-9(15)7-14(19)16-10(2)12-5-4-6-13(8-12)17-11(3)18/h4-6,8-10H,7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFNQVOAPPAFJXHR-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
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]-4-amino-3-methoxybutanamide
CID 103155311
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
CID 79844247

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide (CID 54880253) is N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide is CC(=O)Nc1cccc(C(C)NC(=O)CC(C)N)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide?
The InChIKey is FNQVOAPPAFJXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(15)7-14(19)16-10(2)12-5-4-6-13(8-12)17-11(3)18/h4-6,8-10H,7,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide?
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.56, 5 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]-3-aminobutanamide is sourced from PubChem (CID 54880253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).