N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide

C13H19N3O2 — CID 54880242

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C(C)N)c1
InChIInChI=1S/C13H19N3O2/c1-8(14)13(18)15-9(2)11-5-4-6-12(7-11)16-10(3)17/h4-9H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKEWZHVKMFOIEOY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.17
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide

N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide (PubChem CID 54880242) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
PubChem CID54880242
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C(C)N)c1
InChIInChI=1S/C13H19N3O2/c1-8(14)13(18)15-9(2)11-5-4-6-12(7-11)16-10(3)17/h4-9H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKEWZHVKMFOIEOY-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851861
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide (CID 54880242) is N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide is CC(=O)Nc1cccc(C(C)NC(=O)C(C)N)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide?
The InChIKey is KEWZHVKMFOIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(14)13(18)15-9(2)11-5-4-6-12(7-11)16-10(3)17/h4-9H,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide?
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.17, 4 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]-2-aminopropanamide is sourced from PubChem (CID 54880242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).