2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide

C16H22N2O — CID 43692145

IUPAC2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C16H22N2O/c1-17-16(19)11-14-9-5-6-10-15(14)18-12-13-7-3-2-4-8-13/h2-3,5-6,9-10,13,18H,4,7-8,11-12H2,1H3,(H,17,19)
InChIKeyLQNDJOKATQNFLU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide

2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide (PubChem CID 43692145) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
PubChem CID43692145
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C16H22N2O/c1-17-16(19)11-14-9-5-6-10-15(14)18-12-13-7-3-2-4-8-13/h2-3,5-6,9-10,13,18H,4,7-8,11-12H2,1H3,(H,17,19)
InChIKeyLQNDJOKATQNFLU-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650
N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
CID 43677789
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
2-[2-(cyclohex-3-en-1-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534233
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
CID 43683283
N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline
CID 43094225
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 43601055
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480
1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
CID 79979311
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide (CID 43692145) is 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NCC1CC=CCC1.
What is the InChIKey of 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide?
The InChIKey is LQNDJOKATQNFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-16(19)11-14-9-5-6-10-15(14)18-12-13-7-3-2-4-8-13/h2-3,5-6,9-10,13,18H,4,7-8,11-12H2,1H3,(H,17,19).
What are the key properties of 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide?
2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide has a molecular weight of 258.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 43692145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).