(E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide

C16H22N2O3 — CID 75407352

IUPAC(E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCCOCC1CCCO1
InChIInChI=1S/C16H22N2O3/c19-16(5-4-14-6-9-17-10-7-14)18-8-2-11-20-13-15-3-1-12-21-15/h4-7,9-10,15H,1-3,8,11-13H2,(H,18,19)/b5-4+
InChIKeyNIAHBBSBFFJLEY-SNAWJCMRSA-N
MW290.36 g/mol
LogP1.80
Rot. Bonds8

About (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 75407352) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID75407352
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCCOCC1CCCO1
InChIInChI=1S/C16H22N2O3/c19-16(5-4-14-6-9-17-10-7-14)18-8-2-11-20-13-15-3-1-12-21-15/h4-7,9-10,15H,1-3,8,11-13H2,(H,18,19)/b5-4+
InChIKeyNIAHBBSBFFJLEY-SNAWJCMRSA-N
XLogP1.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
3-(4-butoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 2792148
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide (CID 75407352) is (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1ccncc1)NCCCOCC1CCCO1.
What is the InChIKey of (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is NIAHBBSBFFJLEY-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(5-4-14-6-9-17-10-7-14)18-8-2-11-20-13-15-3-1-12-21-15/h4-7,9-10,15H,1-3,8,11-13H2,(H,18,19)/b5-4+.
What are the key properties of (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(oxolan-2-ylmethoxy)propyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 75407352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).