2-(4-propanoylanilino)-N-propan-2-ylacetamide

C14H20N2O2 — CID 114066654

IUPAC2-(4-propanoylanilino)-N-propan-2-ylacetamide
SMILESCCC(=O)c1ccc(NCC(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-4-13(17)11-5-7-12(8-6-11)15-9-14(18)16-10(2)3/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)
InChIKeyNYELDDBUPSGEKX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.22
Rot. Bonds6

About 2-(4-propanoylanilino)-N-propan-2-ylacetamide

2-(4-propanoylanilino)-N-propan-2-ylacetamide (PubChem CID 114066654) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-propanoylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-propanoylanilino)-N-propan-2-ylacetamide
PubChem CID114066654
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-propanoylanilino)-N-propan-2-ylacetamide
SMILESCCC(=O)c1ccc(NCC(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-4-13(17)11-5-7-12(8-6-11)15-9-14(18)16-10(2)3/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)
InChIKeyNYELDDBUPSGEKX-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide
CID 114253086
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840232

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-propanoylanilino)-N-propan-2-ylacetamide (CID 114066654) is 2-(4-propanoylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-propanoylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-propanoylanilino)-N-propan-2-ylacetamide is CCC(=O)c1ccc(NCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-(4-propanoylanilino)-N-propan-2-ylacetamide?
The InChIKey is NYELDDBUPSGEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-13(17)11-5-7-12(8-6-11)15-9-14(18)16-10(2)3/h5-8,10,15H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-propanoylanilino)-N-propan-2-ylacetamide?
2-(4-propanoylanilino)-N-propan-2-ylacetamide has a molecular weight of 248.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 114066654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).