5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide

C16H22N2O — CID 102705456

IUPAC5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CC=CCC2)cc1N
InChIInChI=1S/C16H22N2O/c1-11-8-12(2)15(17)9-14(11)16(19)18-10-13-6-4-3-5-7-13/h3-4,8-9,13H,5-7,10,17H2,1-2H3,(H,18,19)
InChIKeyDFDDAQUZPOWLCR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.97
Rot. Bonds3

About 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide

5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide (PubChem CID 102705456) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
PubChem CID102705456
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CC=CCC2)cc1N
InChIInChI=1S/C16H22N2O/c1-11-8-12(2)15(17)9-14(11)16(19)18-10-13-6-4-3-5-7-13/h3-4,8-9,13H,5-7,10,17H2,1-2H3,(H,18,19)
InChIKeyDFDDAQUZPOWLCR-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 102851555
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381100
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706148
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71884873
3-amino-6-bromo-N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907902

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide (CID 102705456) is 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCC2CC=CCC2)cc1N.
What is the InChIKey of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide?
The InChIKey is DFDDAQUZPOWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-8-12(2)15(17)9-14(11)16(19)18-10-13-6-4-3-5-7-13/h3-4,8-9,13H,5-7,10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide?
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide has a molecular weight of 258.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).