N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide

C20H28N2O — CID 42701063

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)CC(=O)N(CCc1ccccn1)CC1CC2C=CC1C2
InChIInChI=1S/C20H28N2O/c1-15(2)11-20(23)22(10-8-19-5-3-4-9-21-19)14-18-13-16-6-7-17(18)12-16/h3-7,9,15-18H,8,10-14H2,1-2H3
InChIKeyLBRSAJYDOJHOBI-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.71
Rot. Bonds7

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 42701063) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID42701063
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)CC(=O)N(CCc1ccccn1)CC1CC2C=CC1C2
InChIInChI=1S/C20H28N2O/c1-15(2)11-20(23)22(10-8-19-5-3-4-9-21-19)14-18-13-16-6-7-17(18)12-16/h3-7,9,15-18H,8,10-14H2,1-2H3
InChIKeyLBRSAJYDOJHOBI-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
CID 18541294
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 18389761
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79207735
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(2-pyridin-2-ylethyl)amino]acetyl]pyrrole-2-carboxylate
CID 42672574
(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide
CID 122601135
pyridin-2-ylmethyl (1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101246147
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
4-amino-N,N-diethyl-3-[methyl(2-pyridin-2-ylethyl)amino]butanamide
CID 66430451
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-2-pyridin-2-ylethanamine
CID 79385131
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-butyl-2-thiophen-2-ylacetamide
CID 42701018

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide (CID 42701063) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide is CC(C)CC(=O)N(CCc1ccccn1)CC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is LBRSAJYDOJHOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-15(2)11-20(23)22(10-8-19-5-3-4-9-21-19)14-18-13-16-6-7-17(18)12-16/h3-7,9,15-18H,8,10-14H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 312.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 42701063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).