3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide

C17H26N2O3 — CID 113115249

IUPAC3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)19(14(5)20)11-10-17(21)18-15-6-8-16(9-7-15)22-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,18,21)
InChIKeyXBFXPDMSOXFZIE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.06
Rot. Bonds7

About 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide

3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 113115249) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID113115249
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)19(14(5)20)11-10-17(21)18-15-6-8-16(9-7-15)22-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,18,21)
InChIKeyXBFXPDMSOXFZIE-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113122554
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113158570
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 113115249) is 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)C.
What is the InChIKey of 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is XBFXPDMSOXFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)19(14(5)20)11-10-17(21)18-15-6-8-16(9-7-15)22-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,18,21).
What are the key properties of 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113115249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).