N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide

C26H36N2O2 — CID 166214843

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
SMILESCN(CC1CC=CCC1)C(=O)Cc1ccc(CC(=O)N(C)CC2CC=CCC2)cc1
InChIInChI=1S/C26H36N2O2/c1-27(19-23-9-5-3-6-10-23)25(29)17-21-13-15-22(16-14-21)18-26(30)28(2)20-24-11-7-4-8-12-24/h3-5,7,13-16,23-24H,6,8-12,17-20H2,1-2H3
InChIKeyPGGIFXJRAHNOCR-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.40
Rot. Bonds8

About N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide

N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide (PubChem CID 166214843) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
PubChem CID166214843
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
SMILESCN(CC1CC=CCC1)C(=O)Cc1ccc(CC(=O)N(C)CC2CC=CCC2)cc1
InChIInChI=1S/C26H36N2O2/c1-27(19-23-9-5-3-6-10-23)25(29)17-21-13-15-22(16-14-21)18-26(30)28(2)20-24-11-7-4-8-12-24/h3-5,7,13-16,23-24H,6,8-12,17-20H2,1-2H3
InChIKeyPGGIFXJRAHNOCR-UHFFFAOYSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
CID 63611364
N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide
CID 119050486
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide
CID 71874448
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-[4-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420245
tert-butyl 4-[[[2-(4-chlorophenyl)acetyl]-methylamino]methyl]piperidine-1-carboxylate
CID 110601429

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide (CID 166214843) is N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide is CN(CC1CC=CCC1)C(=O)Cc1ccc(CC(=O)N(C)CC2CC=CCC2)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide?
The InChIKey is PGGIFXJRAHNOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-27(19-23-9-5-3-6-10-23)25(29)17-21-13-15-22(16-14-21)18-26(30)28(2)20-24-11-7-4-8-12-24/h3-5,7,13-16,23-24H,6,8-12,17-20H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide?
N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide has a molecular weight of 408.59 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 166214843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).