N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide

C17H22N2O — CID 43778979

IUPACN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1C
InChIInChI=1S/C17H22N2O/c1-11-7-16(5-6-17(11)19-12(2)20)18-10-15-9-13-3-4-14(15)8-13/h3-7,13-15,18H,8-10H2,1-2H3,(H,19,20)
InChIKeyDXVCUROHCIFECD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.58
Rot. Bonds4

About N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide

N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide (PubChem CID 43778979) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
PubChem CID43778979
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1C
InChIInChI=1S/C17H22N2O/c1-11-7-16(5-6-17(11)19-12(2)20)18-10-15-9-13-3-4-14(15)8-13/h3-7,13-15,18H,8-10H2,1-2H3,(H,19,20)
InChIKeyDXVCUROHCIFECD-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.58
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-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
CID 43782533
N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide
CID 43789833
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 107240495
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-fluorobenzoate
CID 43784798
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
CID 43787041
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline
CID 43764109

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide (CID 43778979) is N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide is CC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1C.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide?
The InChIKey is DXVCUROHCIFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-7-16(5-6-17(11)19-12(2)20)18-10-15-9-13-3-4-14(15)8-13/h3-7,13-15,18H,8-10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide?
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 43778979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).