5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride

C16H26ClN3O2 — CID 119321729

IUPAC5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-6-14(17)16(21)19-12-8-7-11(4)13(9-12)15(20)18-10(2)3;/h7-10,14H,5-6,17H2,1-4H3,(H,18,20)(H,19,21);1H
InChIKeyPUJCFUSZKNHFHC-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.62
Rot. Bonds6

About 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride

5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119321729) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119321729
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-6-14(17)16(21)19-12-8-7-11(4)13(9-12)15(20)18-10(2)3;/h7-10,14H,5-6,17H2,1-4H3,(H,18,20)(H,19,21);1H
InChIKeyPUJCFUSZKNHFHC-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678
5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024
5-[[2-(dimethylamino)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 86805194
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride (CID 119321729) is 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1.Cl.
What is the InChIKey of 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is PUJCFUSZKNHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-5-6-14(17)16(21)19-12-8-7-11(4)13(9-12)15(20)18-10(2)3;/h7-10,14H,5-6,17H2,1-4H3,(H,18,20)(H,19,21);1H.
What are the key properties of 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119321729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).