(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

C18H31NO2 — CID 99786429

IUPAC(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCOCCC1(CNC(=O)C2[C@H]3CCCC[C@@H]23)CCCCC1
InChIInChI=1S/C18H31NO2/c1-21-12-11-18(9-5-2-6-10-18)13-19-17(20)16-14-7-3-4-8-15(14)16/h14-16H,2-13H2,1H3,(H,19,20)/t14-,15+,16?
InChIKeyLMCPEQHKVDCBRY-XYPWUTKMSA-N
MW293.45 g/mol
LogP3.53
Rot. Bonds6

About (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 99786429) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID99786429
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCOCCC1(CNC(=O)C2[C@H]3CCCC[C@@H]23)CCCCC1
InChIInChI=1S/C18H31NO2/c1-21-12-11-18(9-5-2-6-10-18)13-19-17(20)16-14-7-3-4-8-15(14)16/h14-16H,2-13H2,1H3,(H,19,20)/t14-,15+,16?
InChIKeyLMCPEQHKVDCBRY-XYPWUTKMSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
(2S,5R)-5-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 120796422
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 104694634
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812094
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 99786429) is (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide is COCCC1(CNC(=O)C2[C@H]3CCCC[C@@H]23)CCCCC1.
What is the InChIKey of (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is LMCPEQHKVDCBRY-XYPWUTKMSA-N. The full InChI is InChI=1S/C18H31NO2/c1-21-12-11-18(9-5-2-6-10-18)13-19-17(20)16-14-7-3-4-8-15(14)16/h14-16H,2-13H2,1H3,(H,19,20)/t14-,15+,16?.
What are the key properties of (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 99786429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).