N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide

C14H28N2O2 — CID 56703310

IUPACN-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCN(C)CC(C)CNC(=O)C1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-16(3)10-11(2)9-15-14(18)12-5-7-13(17)8-6-12/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyBZJNLPRYYFPLBH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.24
Rot. Bonds6

About N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide

N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 56703310) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID56703310
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCCN(C)CC(C)CNC(=O)C1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-16(3)10-11(2)9-15-14(18)12-5-7-13(17)8-6-12/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyBZJNLPRYYFPLBH-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 122560196
cis-N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-4-hydroxycyclohexanecarboxamide
CID 124215622
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 125519348
N-[(2S)-2-(dimethylamino)pentyl]-4-hydroxycyclohexane-1-carboxamide
CID 129617577
cis-4-hydroxy-N-{[1-(methoxymethyl)cyclobutyl]methyl}cyclohexanecarboxamide
CID 129624298
4-hydroxy-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 164631481
2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide
CID 3125302
4-hydroxy-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 112527725
4-hydroxy-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 112527792
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 137842272
4-hydroxy-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide
CID 146122465
[4-(3-Aminopropylcarbamoyl)cyclohexyl] nitrate
CID 14799059

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide (CID 56703310) is N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide is CCN(C)CC(C)CNC(=O)C1CCC(O)CC1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is BZJNLPRYYFPLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-16(3)10-11(2)9-15-14(18)12-5-7-13(17)8-6-12/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide?
N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 56703310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).