1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide

C14H22N2O2 — CID 81400568

IUPAC1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N[C@H](C)c2ccco2)C1
InChIInChI=1S/C14H22N2O2/c1-10-5-3-7-14(15,9-10)13(17)16-11(2)12-6-4-8-18-12/h4,6,8,10-11H,3,5,7,9,15H2,1-2H3,(H,16,17)/t10?,11-,14?/m1/s1
InChIKeyXEIOYEVSSCZIPF-IQLKVPPVSA-N
MW250.34 g/mol
LogP2.36
Rot. Bonds3

About 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 81400568) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
PubChem CID81400568
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N[C@H](C)c2ccco2)C1
InChIInChI=1S/C14H22N2O2/c1-10-5-3-7-14(15,9-10)13(17)16-11(2)12-6-4-8-18-12/h4,6,8,10-11H,3,5,7,9,15H2,1-2H3,(H,16,17)/t10?,11-,14?/m1/s1
InChIKeyXEIOYEVSSCZIPF-IQLKVPPVSA-N
XLogP2.36
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide (CID 81400568) is 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N[C@H](C)c2ccco2)C1.
What is the InChIKey of 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is XEIOYEVSSCZIPF-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-3-7-14(15,9-10)13(17)16-11(2)12-6-4-8-18-12/h4,6,8,10-11H,3,5,7,9,15H2,1-2H3,(H,16,17)/t10?,11-,14?/m1/s1.
What are the key properties of 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 81400568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).