1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide

C17H32N2O2 — CID 65119100

IUPAC1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
SMILESCCC1CCC(O)(CNC(=O)C2(N)CCCC(C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-14-6-9-16(21,10-7-14)12-19-15(20)17(18)8-4-5-13(2)11-17/h13-14,21H,3-12,18H2,1-2H3,(H,19,20)
InChIKeySPOWTDYFHIUSCQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.34
Rot. Bonds4

About 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 65119100) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
PubChem CID65119100
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
SMILESCCC1CCC(O)(CNC(=O)C2(N)CCCC(C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-3-14-6-9-16(21,10-7-14)12-19-15(20)17(18)8-4-5-13(2)11-17/h13-14,21H,3-12,18H2,1-2H3,(H,19,20)
InChIKeySPOWTDYFHIUSCQ-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 81130808
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide (CID 65119100) is 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide is CCC1CCC(O)(CNC(=O)C2(N)CCCC(C)C2)CC1.
What is the InChIKey of 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is SPOWTDYFHIUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-14-6-9-16(21,10-7-14)12-19-15(20)17(18)8-4-5-13(2)11-17/h13-14,21H,3-12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 65119100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).