(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride

C14H22ClN3O2 — CID 119282390

IUPAC(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-4-13(15)14(19)16-9(2)11-6-5-7-12(8-11)17-10(3)18;/h5-9,13H,4,15H2,1-3H3,(H,16,19)(H,17,18);1H/t9?,13-;/m0./s1
InChIKeyDEKZYOUSNRHXQN-LGYSWELRSA-N
MW299.80 g/mol
LogP1.98
Rot. Bonds5

About (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride

(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride (PubChem CID 119282390) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
PubChem CID119282390
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-4-13(15)14(19)16-9(2)11-6-5-7-12(8-11)17-10(3)18;/h5-9,13H,4,15H2,1-3H3,(H,16,19)(H,17,18);1H/t9?,13-;/m0./s1
InChIKeyDEKZYOUSNRHXQN-LGYSWELRSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851861
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
CID 120986194

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride (CID 119282390) is (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride is CC[C@H](N)C(=O)NC(C)c1cccc(NC(C)=O)c1.Cl.
What is the InChIKey of (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride?
The InChIKey is DEKZYOUSNRHXQN-LGYSWELRSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-4-13(15)14(19)16-9(2)11-6-5-7-12(8-11)17-10(3)18;/h5-9,13H,4,15H2,1-3H3,(H,16,19)(H,17,18);1H/t9?,13-;/m0./s1.
What are the key properties of (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride?
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride is sourced from PubChem (CID 119282390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).