N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride

C18H29Cl2N3O2 — CID 119668459

IUPACN-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C.Cl
InChIInChI=1S/C18H28ClN3O2.ClH/c1-4-5-6-15(11-20)21-18(24)16(12(2)3)22-17(23)13-7-9-14(19)10-8-13;/h7-10,12,15-16H,4-6,11,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyUMEAESVEHUXGFU-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.15
Rot. Bonds9

About N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride

N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride (PubChem CID 119668459) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
PubChem CID119668459
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C.Cl
InChIInChI=1S/C18H28ClN3O2.ClH/c1-4-5-6-15(11-20)21-18(24)16(12(2)3)22-17(23)13-7-9-14(19)10-8-13;/h7-10,12,15-16H,4-6,11,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyUMEAESVEHUXGFU-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4827657
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4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
4-chloro-N-[1-(3-hydroxybutylamino)-3-methyl-1-oxobutan-2-yl]benzamide
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N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
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4-chloro-N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
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CID 119667644
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CID 119665363
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
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4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride (CID 119668459) is N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride is CCCCC(CN)NC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C.Cl.
What is the InChIKey of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
The InChIKey is UMEAESVEHUXGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2.ClH/c1-4-5-6-15(11-20)21-18(24)16(12(2)3)22-17(23)13-7-9-14(19)10-8-13;/h7-10,12,15-16H,4-6,11,20H2,1-3H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride has a molecular weight of 390.36 g/mol, XLogP of 3.15, 9 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-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119668459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).