4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide

C19H22N2O3 — CID 29175980

IUPAC4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-12-24-17-7-5-16(6-8-17)18(22)9-10-19(23)21-14-15-4-3-11-20-13-15/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,21,23)
InChIKeyCPOOWQMGHMBWFJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds9

About 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide

4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 29175980) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID29175980
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-12-24-17-7-5-16(6-8-17)18(22)9-10-19(23)21-14-15-4-3-11-20-13-15/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,21,23)
InChIKeyCPOOWQMGHMBWFJ-UHFFFAOYSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
4-[4-(3-ethyl-4-methoxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 68909664
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55509603
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide (CID 29175980) is 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is CPOOWQMGHMBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-12-24-17-7-5-16(6-8-17)18(22)9-10-19(23)21-14-15-4-3-11-20-13-15/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,21,23).
What are the key properties of 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide?
4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 326.40 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 29175980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).