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

C16H22N2O — CID 47019375

IUPACN-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2CC=CCC2)cc1
InChIInChI=1S/C16H22N2O/c1-13(19)18-16-9-7-15(8-10-16)12-17-11-14-5-3-2-4-6-14/h2-3,7-10,14,17H,4-6,11-12H2,1H3,(H,18,19)
InChIKeyGJJPEMPOAXHFGS-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.09
Rot. Bonds5

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

N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide (PubChem CID 47019375) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide
PubChem CID47019375
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2CC=CCC2)cc1
InChIInChI=1S/C16H22N2O/c1-13(19)18-16-9-7-15(8-10-16)12-17-11-14-5-3-2-4-6-14/h2-3,7-10,14,17H,4-6,11-12H2,1H3,(H,18,19)
InChIKeyGJJPEMPOAXHFGS-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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)phenyl]acetamide
CID 43200802
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062
N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 79352344
1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60707293
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 41236223
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide (CID 47019375) is N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC2CC=CCC2)cc1.
What is the InChIKey of N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide?
The InChIKey is GJJPEMPOAXHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(19)18-16-9-7-15(8-10-16)12-17-11-14-5-3-2-4-6-14/h2-3,7-10,14,17H,4-6,11-12H2,1H3,(H,18,19).
What are the key properties of N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide?
N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide has a molecular weight of 258.37 g/mol, XLogP of 3.09, 5 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)methyl]phenyl]acetamide is sourced from PubChem (CID 47019375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).