N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide

C17H22N2O — CID 43789833

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

About N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide

N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide (PubChem CID 43789833) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide
PubChem CID43789833
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C17H22N2O/c1-11-3-6-16(19-12(2)20)9-17(11)18-10-15-8-13-4-5-14(15)7-13/h3-6,9,13-15,18H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyATHDTOXCLIXZTC-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-methylphenyl]acetamide
CID 43778979
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline
CID 43764109
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
CID 43782533
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-bromo-5-methylaniline
CID 82761415
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-fluorobenzoate
CID 43784798
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
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide
CID 98236513
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide (CID 43789833) is N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCC2CC3C=CC2C3)c1.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide?
The InChIKey is ATHDTOXCLIXZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-3-6-16(19-12(2)20)9-17(11)18-10-15-8-13-4-5-14(15)7-13/h3-6,9,13-15,18H,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide?
N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-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-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide is sourced from PubChem (CID 43789833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).