N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

C17H34ClN3O2 — CID 119658134

IUPACN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-13(2)15(18)9-10-20(3)17(22)12-19-16(21)11-14-7-5-4-6-8-14;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H
InChIKeyUUMHCXDNGGZRHV-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.33
Rot. Bonds8

About N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (PubChem CID 119658134) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
PubChem CID119658134
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-13(2)15(18)9-10-20(3)17(22)12-19-16(21)11-14-7-5-4-6-8-14;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H
InChIKeyUUMHCXDNGGZRHV-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119659726
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide;hydrochloride
CID 119661202
N-(3-amino-4-methylpentyl)-N-methyl-2-(oxan-2-yl)acetamide;hydrochloride
CID 119657738
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 119661203
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
CID 119992202
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (CID 119658134) is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CNC(=O)CC1CCCCC1.Cl.
What is the InChIKey of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The InChIKey is UUMHCXDNGGZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-13(2)15(18)9-10-20(3)17(22)12-19-16(21)11-14-7-5-4-6-8-14;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119658134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).