N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane

C19H33N3O — CID 144690114

IUPACN-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane
SMILESC=Cc1ccnc(CNCC(=O)N(CC)CC(C)(C)C)c1.CC
InChIInChI=1S/C17H27N3O.C2H6/c1-6-14-8-9-19-15(10-14)11-18-12-16(21)20(7-2)13-17(3,4)5;1-2/h6,8-10,18H,1,7,11-13H2,2-5H3;1-2H3
InChIKeyFWMHCSAHZBAPOA-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.73
Rot. Bonds7

About N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane

N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane (PubChem CID 144690114) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane
PubChem CID144690114
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane
SMILESC=Cc1ccnc(CNCC(=O)N(CC)CC(C)(C)C)c1.CC
InChIInChI=1S/C17H27N3O.C2H6/c1-6-14-8-9-19-15(10-14)11-18-12-16(21)20(7-2)13-17(3,4)5;1-2/h6,8-10,18H,1,7,11-13H2,2-5H3;1-2H3
InChIKeyFWMHCSAHZBAPOA-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Amrinone
CID 3698
Tagorizine
CID 6436051
UR-12460
CID 9889404
Kdoam-25
CID 91810435
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
Ethanediamide, N,N'-bis(4-pyridinylmethyl)-
CID 3121386
Kdoam-28
CID 126961672
Kdoam-29
CID 126961673
N-(pyridin-2-ylmethyl)acetamide
CID 5084090

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane (CID 144690114) is N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane is C=Cc1ccnc(CNCC(=O)N(CC)CC(C)(C)C)c1.CC.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane?
The InChIKey is FWMHCSAHZBAPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.C2H6/c1-6-14-8-9-19-15(10-14)11-18-12-16(21)20(7-2)13-17(3,4)5;1-2/h6,8-10,18H,1,7,11-13H2,2-5H3;1-2H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane?
N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane has a molecular weight of 319.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane is sourced from PubChem (CID 144690114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).