N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

C16H32ClN3O2 — CID 119665633

IUPACN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CNC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-2-3-9-14(11-17)19-16(21)12-18-15(20)10-13-7-5-4-6-8-13;/h13-14H,2-12,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyCFOKBESLYOEDHB-UHFFFAOYSA-N
MW333.90 g/mol
LogP2.13
Rot. Bonds9

About N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride

N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (PubChem CID 119665633) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
PubChem CID119665633
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CNC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-2-3-9-14(11-17)19-16(21)12-18-15(20)10-13-7-5-4-6-8-13;/h13-14H,2-12,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyCFOKBESLYOEDHB-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122080965
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N-(1-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminopentan-2-yl)-3-cyclopentylpropanamide
CID 65190822
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 119369009
2-cyclohexyl-N-octylacetamide
CID 3547359
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
N-(1-aminobutan-2-yl)-2-cyclopropylacetamide
CID 63755358

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride (CID 119665633) is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The canonical SMILES for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is CCCCC(CN)NC(=O)CNC(=O)CC1CCCCC1.Cl.
What is the InChIKey of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
The InChIKey is CFOKBESLYOEDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-2-3-9-14(11-17)19-16(21)12-18-15(20)10-13-7-5-4-6-8-13;/h13-14H,2-12,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride?
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119665633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).