4-(2-aminopentanoylamino)benzamide;hydrochloride

C12H18ClN3O2 — CID 119262578

IUPAC4-(2-aminopentanoylamino)benzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-3-10(13)12(17)15-9-6-4-8(5-7-9)11(14)16;/h4-7,10H,2-3,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyJTWGFXZJLFLKQO-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.27
Rot. Bonds5

About 4-(2-aminopentanoylamino)benzamide;hydrochloride

4-(2-aminopentanoylamino)benzamide;hydrochloride (PubChem CID 119262578) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)benzamide;hydrochloride
PubChem CID119262578
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-(2-aminopentanoylamino)benzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-3-10(13)12(17)15-9-6-4-8(5-7-9)11(14)16;/h4-7,10H,2-3,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyJTWGFXZJLFLKQO-UHFFFAOYSA-N
XLogP1.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 119278079
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)benzamide;hydrochloride?
The IUPAC name of 4-(2-aminopentanoylamino)benzamide;hydrochloride (CID 119262578) is 4-(2-aminopentanoylamino)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-aminopentanoylamino)benzamide;hydrochloride?
The canonical SMILES for 4-(2-aminopentanoylamino)benzamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-(2-aminopentanoylamino)benzamide;hydrochloride?
The InChIKey is JTWGFXZJLFLKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-2-3-10(13)12(17)15-9-6-4-8(5-7-9)11(14)16;/h4-7,10H,2-3,13H2,1H3,(H2,14,16)(H,15,17);1H.
What are the key properties of 4-(2-aminopentanoylamino)benzamide;hydrochloride?
4-(2-aminopentanoylamino)benzamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119262578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).