N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide

C15H20N2O — CID 43200802

IUPACN-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CC=CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-12(18)17-15-9-7-14(8-10-15)16-11-13-5-3-2-4-6-13/h2-3,7-10,13,16H,4-6,11H2,1H3,(H,17,18)
InChIKeyBCUBEYKMCBNJIT-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide

N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide (PubChem CID 43200802) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
PubChem CID43200802
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CC=CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-12(18)17-15-9-7-14(8-10-15)16-11-13-5-3-2-4-6-13/h2-3,7-10,13,16H,4-6,11H2,1H3,(H,17,18)
InChIKeyBCUBEYKMCBNJIT-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.41
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

N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide
CID 47019375
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
5-(cyclohex-3-en-1-ylmethylamino)-1-methylpyridin-2-one
CID 60930916
N-[3-(cyclohex-3-en-1-ylmethylamino)-4-methylphenyl]propanamide
CID 43677239
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
CID 62810912
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
CID 61059642
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
CID 28614317
2-chloro-4-N-(cyclohex-3-en-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191974
[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
CID 54880206
2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
CID 43692145
N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine
CID 43687653
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide (CID 43200802) is N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCC2CC=CCC2)cc1.
What is the InChIKey of N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide?
The InChIKey is BCUBEYKMCBNJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(18)17-15-9-7-14(8-10-15)16-11-13-5-3-2-4-6-13/h2-3,7-10,13,16H,4-6,11H2,1H3,(H,17,18).
What are the key properties of N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide?
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 43200802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).