3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide

C17H26N2O3 — CID 113129532

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H26N2O3/c1-6-13(3)18-17(21)9-10-19(14(4)20)15-11-12(2)7-8-16(15)22-5/h7-8,11,13H,6,9-10H2,1-5H3,(H,18,21)
InChIKeyNKRONHIOPWKIHV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.66
Rot. Bonds7

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide (PubChem CID 113129532) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
PubChem CID113129532
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCN(C(C)=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H26N2O3/c1-6-13(3)18-17(21)9-10-19(14(4)20)15-11-12(2)7-8-16(15)22-5/h7-8,11,13H,6,9-10H2,1-5H3,(H,18,21)
InChIKeyNKRONHIOPWKIHV-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113129681
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
CID 113133839
N-(2-methoxy-5-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129537
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide (CID 113129532) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCN(C(C)=O)c1cc(C)ccc1OC.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide?
The InChIKey is NKRONHIOPWKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-13(3)18-17(21)9-10-19(14(4)20)15-11-12(2)7-8-16(15)22-5/h7-8,11,13H,6,9-10H2,1-5H3,(H,18,21).
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide is sourced from PubChem (CID 113129532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).