2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene

C23H34N2O — CID 143772057

IUPAC2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene
SMILESC=CC.CC(C)(C)C.CCc1ccc(-c2cccc(C(=O)NC)c2)nc1
InChIInChI=1S/C15H16N2O.C5H12.C3H6/c1-3-11-7-8-14(17-10-11)12-5-4-6-13(9-12)15(18)16-2;1-5(2,3)4;1-3-2/h4-10H,3H2,1-2H3,(H,16,18);1-4H3;3H,1H2,2H3
InChIKeyPWROKGHZQRFJKQ-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.92
Rot. Bonds3

About 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene

2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene (PubChem CID 143772057) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene.

Molecular Properties

Compound Name2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene
PubChem CID143772057
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene
SMILESC=CC.CC(C)(C)C.CCc1ccc(-c2cccc(C(=O)NC)c2)nc1
InChIInChI=1S/C15H16N2O.C5H12.C3H6/c1-3-11-7-8-14(17-10-11)12-5-4-6-13(9-12)15(18)16-2;1-5(2,3)4;1-3-2/h4-10H,3H2,1-2H3,(H,16,18);1-4H3;3H,1H2,2H3
InChIKeyPWROKGHZQRFJKQ-UHFFFAOYSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.92
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-ethyl-N-methylbenzamide
CID 59115297
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 125179850
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125174061
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-methyl-3-(3-methylimidazo[1,2-b]pyridazin-6-yl)benzamide
CID 156515455
3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene?
The IUPAC name of 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene (CID 143772057) is 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene.
What is the SMILES notation for 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene?
The canonical SMILES for 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene is C=CC.CC(C)(C)C.CCc1ccc(-c2cccc(C(=O)NC)c2)nc1.
What is the InChIKey of 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene?
The InChIKey is PWROKGHZQRFJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C5H12.C3H6/c1-3-11-7-8-14(17-10-11)12-5-4-6-13(9-12)15(18)16-2;1-5(2,3)4;1-3-2/h4-10H,3H2,1-2H3,(H,16,18);1-4H3;3H,1H2,2H3.
What are the key properties of 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene?
2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene has a molecular weight of 354.54 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene is sourced from PubChem (CID 143772057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).