3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide

C18H21N3O2 — CID 915937

IUPAC3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NN=Cc2ccncc2)cc1
InChIInChI=1S/C18H21N3O2/c1-14(2)23-17-6-3-15(4-7-17)5-8-18(22)21-20-13-16-9-11-19-12-10-16/h3-4,6-7,9-14H,5,8H2,1-2H3,(H,21,22)
InChIKeyOCXWXUMTNZPQIX-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.95
Rot. Bonds7

About 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide

3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide (PubChem CID 915937) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide
PubChem CID915937
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NN=Cc2ccncc2)cc1
InChIInChI=1S/C18H21N3O2/c1-14(2)23-17-6-3-15(4-7-17)5-8-18(22)21-20-13-16-9-11-19-12-10-16/h3-4,6-7,9-14H,5,8H2,1-2H3,(H,21,22)
InChIKeyOCXWXUMTNZPQIX-UHFFFAOYSA-N
XLogP2.95
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
(2S)-2-(4-chlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 5396013
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide
CID 4662117

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide?
The IUPAC name of 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide (CID 915937) is 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide.
What is the SMILES notation for 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide?
The canonical SMILES for 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide is CC(C)Oc1ccc(CCC(=O)NN=Cc2ccncc2)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide?
The InChIKey is OCXWXUMTNZPQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14(2)23-17-6-3-15(4-7-17)5-8-18(22)21-20-13-16-9-11-19-12-10-16/h3-4,6-7,9-14H,5,8H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide?
3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide has a molecular weight of 311.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide is sourced from PubChem (CID 915937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).