2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride

C13H21ClN2O — CID 119263935

IUPAC2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cccc(CC)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-6-12(14)13(16)15-11-8-5-7-10(4-2)9-11;/h5,7-9,12H,3-4,6,14H2,1-2H3,(H,15,16);1H
InChIKeySFCQKDMOGLLPPE-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride

2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride (PubChem CID 119263935) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
PubChem CID119263935
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cccc(CC)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-6-12(14)13(16)15-11-8-5-7-10(4-2)9-11;/h5,7-9,12H,3-4,6,14H2,1-2H3,(H,15,16);1H
InChIKeySFCQKDMOGLLPPE-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
CID 119343981
2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
CID 119327254
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
2-amino-N-(3-nitrophenyl)pentanamide
CID 113223757

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride (CID 119263935) is 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1cccc(CC)c1.Cl.
What is the InChIKey of 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride?
The InChIKey is SFCQKDMOGLLPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-3-6-12(14)13(16)15-11-8-5-7-10(4-2)9-11;/h5,7-9,12H,3-4,6,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride?
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119263935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).