4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride

C16H26ClN3O2 — CID 119268408

IUPAC4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-7-14(17)15(20)18-13-10-8-12(9-11-13)16(21)19(5-2)6-3;/h8-11,14H,4-7,17H2,1-3H3,(H,18,20);1H
InChIKeyKPTXFROQDFHJOM-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.66
Rot. Bonds7

About 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride

4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride (PubChem CID 119268408) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
PubChem CID119268408
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-7-14(17)15(20)18-13-10-8-12(9-11-13)16(21)19(5-2)6-3;/h8-11,14H,4-7,17H2,1-3H3,(H,18,20);1H
InChIKeyKPTXFROQDFHJOM-UHFFFAOYSA-N
XLogP2.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
2-amino-N-[4-(diethylcarbamoyl)phenyl]butanediamide;hydrochloride
CID 119955979
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029
(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
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride (CID 119268408) is 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1.Cl.
What is the InChIKey of 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride?
The InChIKey is KPTXFROQDFHJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-4-7-14(17)15(20)18-13-10-8-12(9-11-13)16(21)19(5-2)6-3;/h8-11,14H,4-7,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride?
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119268408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).