3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide

C15H20N2O2 — CID 43735274

IUPAC3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCC1CC=CCC1
InChIInChI=1S/C15H20N2O2/c1-19-14-8-7-12(15(16)18)9-13(14)17-10-11-5-3-2-4-6-11/h2-3,7-9,11,17H,4-6,10H2,1H3,(H2,16,18)
InChIKeyKMNPURAZFMOADN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.56
Rot. Bonds5

About 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide

3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide (PubChem CID 43735274) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide
PubChem CID43735274
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCC1CC=CCC1
InChIInChI=1S/C15H20N2O2/c1-19-14-8-7-12(15(16)18)9-13(14)17-10-11-5-3-2-4-6-11/h2-3,7-9,11,17H,4-6,10H2,1H3,(H2,16,18)
InChIKeyKMNPURAZFMOADN-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
3-(cyclohex-3-en-1-ylmethylamino)-4-fluorobenzoic acid
CID 43728029
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
CID 61059642
3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
CID 115928738
N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
methyl 5-(cyclohex-3-en-1-ylmethylamino)-2,4-difluorobenzoate
CID 43731395
4-chloro-3-(cyclohexylmethylamino)benzamide
CID 43679468
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide (CID 43735274) is 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NCC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide?
The InChIKey is KMNPURAZFMOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-8-7-12(15(16)18)9-13(14)17-10-11-5-3-2-4-6-11/h2-3,7-9,11,17H,4-6,10H2,1H3,(H2,16,18).
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide?
3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide is sourced from PubChem (CID 43735274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).