N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide

C16H22N2O2 — CID 71223585

IUPACN-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide
SMILESCCO/C=C\c1ncccc1CN(CC)C(=O)C1CC1
InChIInChI=1S/C16H22N2O2/c1-3-18(16(19)13-7-8-13)12-14-6-5-10-17-15(14)9-11-20-4-2/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3/b11-9-
InChIKeyCOUPVINKEUBPRF-LUAWRHEFSA-N
MW274.36 g/mol
LogP2.85
Rot. Bonds7

About N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide

N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide (PubChem CID 71223585) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide
PubChem CID71223585
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide
SMILESCCO/C=C\c1ncccc1CN(CC)C(=O)C1CC1
InChIInChI=1S/C16H22N2O2/c1-3-18(16(19)13-7-8-13)12-14-6-5-10-17-15(14)9-11-20-4-2/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3/b11-9-
InChIKeyCOUPVINKEUBPRF-LUAWRHEFSA-N
XLogP2.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 143966240
(3R)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 95141758
(3S)-3-N-[(2-ethoxyphenyl)methyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 95141759
N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 78852719
N,N-diethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxamide
CID 134794727
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
2-[3-[3-[[cyclopropanecarbonyl(ethyl)amino]methyl]-2-pyridinyl]-5-(trifluoromethyl)indol-1-yl]acetic acid
CID 71223419

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide (CID 71223585) is N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide is CCO/C=C\c1ncccc1CN(CC)C(=O)C1CC1.
What is the InChIKey of N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is COUPVINKEUBPRF-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18(16(19)13-7-8-13)12-14-6-5-10-17-15(14)9-11-20-4-2/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3/b11-9-.
What are the key properties of N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide?
N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(Z)-2-ethoxyethenyl]-3-pyridinyl]methyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 71223585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).