N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide

C18H22N2O — CID 110648244

IUPACN-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
SMILESCCN(Cc1ccccc1)C(=O)CC(C)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-3-20(14-16-8-5-4-6-9-16)18(21)12-15(2)17-10-7-11-19-13-17/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyVFJMJTKPKNFQFN-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide

N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide (PubChem CID 110648244) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
PubChem CID110648244
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
SMILESCCN(Cc1ccccc1)C(=O)CC(C)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-3-20(14-16-8-5-4-6-9-16)18(21)12-15(2)17-10-7-11-19-13-17/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyVFJMJTKPKNFQFN-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid
CID 167954016
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112992893
N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
CID 47785477

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide?
The IUPAC name of N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide (CID 110648244) is N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide is CCN(Cc1ccccc1)C(=O)CC(C)c1cccnc1.
What is the InChIKey of N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide?
The InChIKey is VFJMJTKPKNFQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(14-16-8-5-4-6-9-16)18(21)12-15(2)17-10-7-11-19-13-17/h4-11,13,15H,3,12,14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide?
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide has a molecular weight of 282.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 110648244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).