2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide

C18H24N2O — CID 98236513

IUPAC2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C18H24N2O/c1-20(2)18(21)11-15-5-3-4-6-17(15)19-12-16-10-13-7-8-14(16)9-13/h3-8,13-14,16,19H,9-12H2,1-2H3/t13-,14-,16-/m0/s1
InChIKeyZBMQMMUECRUZNE-DZKIICNBSA-N
MW284.40 g/mol
LogP2.94
Rot. Bonds5

About 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide

2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 98236513) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide
PubChem CID98236513
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C18H24N2O/c1-20(2)18(21)11-15-5-3-4-6-17(15)19-12-16-10-13-7-8-14(16)9-13/h3-8,13-14,16,19H,9-12H2,1-2H3/t13-,14-,16-/m0/s1
InChIKeyZBMQMMUECRUZNE-DZKIICNBSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
CID 24847532
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide
CID 43789833
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine
CID 43759306
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dimethoxyaniline
CID 43758056
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
CID 47077671

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide (CID 98236513) is 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NC[C@@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is ZBMQMMUECRUZNE-DZKIICNBSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(2)18(21)11-15-5-3-4-6-17(15)19-12-16-10-13-7-8-14(16)9-13/h3-8,13-14,16,19H,9-12H2,1-2H3/t13-,14-,16-/m0/s1.
What are the key properties of 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide?
2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 284.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 98236513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).