1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone

C20H34N2O — CID 97080313

IUPAC1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone
SMILESO=C(CN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1)N1CCC1
InChIInChI=1S/C20H34N2O/c23-20(21-13-6-14-21)15-22(17-11-12-17)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h16-19H,1-15H2/t18-,19-/m1/s1
InChIKeyYRVDDIDNXVPRNZ-RTBURBONSA-N
MW318.51 g/mol
LogP3.82
Rot. Bonds5

About 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone

1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone (PubChem CID 97080313) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone
PubChem CID97080313
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone
SMILESO=C(CN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1)N1CCC1
InChIInChI=1S/C20H34N2O/c23-20(21-13-6-14-21)15-22(17-11-12-17)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h16-19H,1-15H2/t18-,19-/m1/s1
InChIKeyYRVDDIDNXVPRNZ-RTBURBONSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147930
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone (CID 97080313) is 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone is O=C(CN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone?
The InChIKey is YRVDDIDNXVPRNZ-RTBURBONSA-N. The full InChI is InChI=1S/C20H34N2O/c23-20(21-13-6-14-21)15-22(17-11-12-17)19-10-5-4-9-18(19)16-7-2-1-3-8-16/h16-19H,1-15H2/t18-,19-/m1/s1.
What are the key properties of 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone?
1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone has a molecular weight of 318.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[[(1R,2R)-2-cyclohexylcyclohexyl]-cyclopropylamino]ethanone is sourced from PubChem (CID 97080313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).