N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride

C15H24ClN3O2 — CID 119585085

IUPACN-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCNC(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-12(11-16)18(2)14(19)9-6-10-17-15(20)13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9-11,16H2,1-2H3,(H,17,20);1H
InChIKeyWNLVHGYLPWTMAI-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.42
Rot. Bonds7

About N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride

N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride (PubChem CID 119585085) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
PubChem CID119585085
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCNC(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-12(11-16)18(2)14(19)9-6-10-17-15(20)13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9-11,16H2,1-2H3,(H,17,20);1H
InChIKeyWNLVHGYLPWTMAI-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
2-[4-benzamidobutanoyl(butan-2-yl)amino]acetic acid
CID 119955163
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
2-[4-[(4-fluorobenzoyl)amino]butanoyl-methylamino]propanoic acid
CID 119209675
N-(4-oxopentyl)benzamide
CID 10798281
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(5-methyl-4-methylidenehexyl)benzamide
CID 24750673
N-[4-[methyl-[1-(3-nitrophenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 46565406
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
CID 119668614
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride?
The IUPAC name of N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride (CID 119585085) is N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride is CC(CN)N(C)C(=O)CCCNC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride?
The InChIKey is WNLVHGYLPWTMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-12(11-16)18(2)14(19)9-6-10-17-15(20)13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9-11,16H2,1-2H3,(H,17,20);1H.
What are the key properties of N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride?
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride is sourced from PubChem (CID 119585085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).