N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

C19H32ClN3O2 — CID 119665970

IUPACN-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(NC(=O)c1ccccc1)C(C)CC.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-4-6-12-16(13-20)21-19(24)17(14(3)5-2)22-18(23)15-10-8-7-9-11-15;/h7-11,14,16-17H,4-6,12-13,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyRHCXHXWJYGKREX-UHFFFAOYSA-N
MW369.94 g/mol
LogP2.89
Rot. Bonds10

About N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (PubChem CID 119665970) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
PubChem CID119665970
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC NameN-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(NC(=O)c1ccccc1)C(C)CC.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-4-6-12-16(13-20)21-19(24)17(14(3)5-2)22-18(23)15-10-8-7-9-11-15;/h7-11,14,16-17H,4-6,12-13,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyRHCXHXWJYGKREX-UHFFFAOYSA-N
XLogP2.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119668459
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 42988908
butyl (2S,3R)-2-benzamido-3-hydroxybutanoate
CID 101068173
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119548107
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (CID 119665970) is N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is CCCCC(CN)NC(=O)C(NC(=O)c1ccccc1)C(C)CC.Cl.
What is the InChIKey of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The InChIKey is RHCXHXWJYGKREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-4-6-12-16(13-20)21-19(24)17(14(3)5-2)22-18(23)15-10-8-7-9-11-15;/h7-11,14,16-17H,4-6,12-13,20H2,1-3H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119665970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).