5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119316574

IUPAC5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-3-4-11(14)13(18)16-9-6-5-8(2)10(7-9)12(15)17;/h5-7,11H,3-4,14H2,1-2H3,(H2,15,17)(H,16,18);1H
InChIKeyDKSMCPFOIOVJIA-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.58
Rot. Bonds5

About 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride

5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride (PubChem CID 119316574) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
PubChem CID119316574
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-3-4-11(14)13(18)16-9-6-5-8(2)10(7-9)12(15)17;/h5-7,11H,3-4,14H2,1-2H3,(H2,15,17)(H,16,18);1H
InChIKeyDKSMCPFOIOVJIA-UHFFFAOYSA-N
XLogP1.58
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119321729
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
5-[[(2S)-2-aminopentanoyl]amino]-2,3-dimethylbenzoic acid
CID 107569648
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride (CID 119316574) is 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(C)c(C(N)=O)c1.Cl.
What is the InChIKey of 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride?
The InChIKey is DKSMCPFOIOVJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-3-4-11(14)13(18)16-9-6-5-8(2)10(7-9)12(15)17;/h5-7,11H,3-4,14H2,1-2H3,(H2,15,17)(H,16,18);1H.
What are the key properties of 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride?
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119316574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).