4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide

C18H26N2O — CID 10803158

IUPAC4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
SMILESCCCCc1ccc(C(=O)NN2CC=C(CC)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-3-5-6-16-7-9-17(10-8-16)18(21)19-20-13-11-15(4-2)12-14-20/h7-11H,3-6,12-14H2,1-2H3,(H,19,21)
InChIKeyIOSCXSAGSHODLZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.72
Rot. Bonds6

About 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide

4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide (PubChem CID 10803158) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
PubChem CID10803158
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
SMILESCCCCc1ccc(C(=O)NN2CC=C(CC)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-3-5-6-16-7-9-17(10-8-16)18(21)19-20-13-11-15(4-2)12-14-20/h7-11H,3-6,12-14H2,1-2H3,(H,19,21)
InChIKeyIOSCXSAGSHODLZ-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.72
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

4-tert-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
CID 10636979
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174193075
2-[(4-butylbenzoyl)amino]prop-2-enoic acid
CID 167119369
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630211
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The IUPAC name of 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide (CID 10803158) is 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide.
What is the SMILES notation for 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The canonical SMILES for 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide is CCCCc1ccc(C(=O)NN2CC=C(CC)CC2)cc1.
What is the InChIKey of 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
The InChIKey is IOSCXSAGSHODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-5-6-16-7-9-17(10-8-16)18(21)19-20-13-11-15(4-2)12-14-20/h7-11H,3-6,12-14H2,1-2H3,(H,19,21).
What are the key properties of 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide?
4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide is sourced from PubChem (CID 10803158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).