4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide

C15H20N2O2 — CID 112516837

IUPAC4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
SMILESCC(C#N)CCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-14-7-5-13(6-8-14)17-15(18)9-4-12(3)10-16/h5-8,11-12H,4,9H2,1-3H3,(H,17,18)
InChIKeyUKEQURQLZMPFMA-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.35
Rot. Bonds6

About 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide

4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide (PubChem CID 112516837) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
PubChem CID112516837
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
SMILESCC(C#N)CCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-14-7-5-13(6-8-14)17-15(18)9-4-12(3)10-16/h5-8,11-12H,4,9H2,1-3H3,(H,17,18)
InChIKeyUKEQURQLZMPFMA-UHFFFAOYSA-N
XLogP3.35
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286722
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide?
The IUPAC name of 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide (CID 112516837) is 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide.
What is the SMILES notation for 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide?
The canonical SMILES for 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide is CC(C#N)CCC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide?
The InChIKey is UKEQURQLZMPFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)19-14-7-5-13(6-8-14)17-15(18)9-4-12(3)10-16/h5-8,11-12H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide?
4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide has a molecular weight of 260.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide is sourced from PubChem (CID 112516837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).