3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide

C14H20N2O3 — CID 116540898

IUPAC3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
SMILESCC(=O)c1cc(N)ccc1OCCC(=O)NC(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)16-14(18)6-7-19-13-5-4-11(15)8-12(13)10(3)17/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyOMGBADCIKPCICQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.76
Rot. Bonds6

About 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide

3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide (PubChem CID 116540898) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
PubChem CID116540898
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
SMILESCC(=O)c1cc(N)ccc1OCCC(=O)NC(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)16-14(18)6-7-19-13-5-4-11(15)8-12(13)10(3)17/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyOMGBADCIKPCICQ-UHFFFAOYSA-N
XLogP1.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
CID 106955525
3-(4-amino-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 62623218
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-2-methoxybenzoate
CID 104784112
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
CID 55189402
1-[5-amino-2-(2-phenylsulfanylethoxy)phenyl]ethanone
CID 116540903
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 55204374
4-methyl-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzoic acid
CID 62623223

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide (CID 116540898) is 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide is CC(=O)c1cc(N)ccc1OCCC(=O)NC(C)C.
What is the InChIKey of 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is OMGBADCIKPCICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)16-14(18)6-7-19-13-5-4-11(15)8-12(13)10(3)17/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide?
3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 116540898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).