N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide

C15H20N2O — CID 43601055

IUPACN-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCNCc1ccccc1NC(=O)C1CC=CCC1
InChIInChI=1S/C15H20N2O/c1-16-11-13-9-5-6-10-14(13)17-15(18)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,16H,4,7-8,11H2,1H3,(H,17,18)
InChIKeyONMRGLJRVMCZLK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide

N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 43601055) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID43601055
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCNCc1ccccc1NC(=O)C1CC=CCC1
InChIInChI=1S/C15H20N2O/c1-16-11-13-9-5-6-10-14(13)17-15(18)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,16H,4,7-8,11H2,1H3,(H,17,18)
InChIKeyONMRGLJRVMCZLK-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
N-[2-(3,3,3-trifluoropropyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 71921099
N-[2-(methylaminomethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893270
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
CID 51230497
N-[2-(methylaminomethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119437919
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
2-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropylbenzamide
CID 51455987

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 43601055) is N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide is CNCc1ccccc1NC(=O)C1CC=CCC1.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ONMRGLJRVMCZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-11-13-9-5-6-10-14(13)17-15(18)12-7-3-2-4-8-12/h2-3,5-6,9-10,12,16H,4,7-8,11H2,1H3,(H,17,18).
What are the key properties of N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43601055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).