(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide

C16H21NO2 — CID 32601690

IUPAC(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C16H21NO2/c1-19-12-15-10-6-5-9-14(15)11-17-16(18)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBYZNPTHMPZHSPK-ZDUSSCGKSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds5

About (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 32601690) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID32601690
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C16H21NO2/c1-19-12-15-10-6-5-9-14(15)11-17-16(18)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBYZNPTHMPZHSPK-ZDUSSCGKSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 32601690) is (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is COCc1ccccc1CNC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is BYZNPTHMPZHSPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-12-15-10-6-5-9-14(15)11-17-16(18)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 32601690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).