3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide

C14H26N2O2 — CID 64891038

IUPAC3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
SMILESCC1CCC(CCNC(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-2-4-12(5-3-11)6-8-16-13(17)14(15)7-9-18-10-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyDSWPKJLICQIJOC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds4

About 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide

3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide (PubChem CID 64891038) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
PubChem CID64891038
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide
SMILESCC1CCC(CCNC(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-2-4-12(5-3-11)6-8-16-13(17)14(15)7-9-18-10-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyDSWPKJLICQIJOC-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(oxan-4-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119724786
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
1-amino-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 119290205
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
CID 80598794
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322
3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 115430426
3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
CID 64893109
4-amino-N-butyloxane-4-carboxamide
CID 115293500
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide (CID 64891038) is 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide is CC1CCC(CCNC(=O)C2(N)CCOC2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide?
The InChIKey is DSWPKJLICQIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-2-4-12(5-3-11)6-8-16-13(17)14(15)7-9-18-10-14/h11-12H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylcyclohexyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).