3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide

C19H30N2O3 — CID 113129740

IUPAC3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCC(C)C)c1ccccc1OC(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)10-12-20-19(23)11-13-21(16(5)22)17-8-6-7-9-18(17)24-15(3)4/h6-9,14-15H,10-13H2,1-5H3,(H,20,23)
InChIKeyXIKXCMBODAMOJT-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.38
Rot. Bonds9

About 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide (PubChem CID 113129740) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
PubChem CID113129740
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCC(C)C)c1ccccc1OC(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)10-12-20-19(23)11-13-21(16(5)22)17-8-6-7-9-18(17)24-15(3)4/h6-9,14-15H,10-13H2,1-5H3,(H,20,23)
InChIKeyXIKXCMBODAMOJT-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
CID 113129770
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 113129785
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113129799
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
methyl 3-[acetyl-[3-(3-methylbutylamino)-3-oxopropyl]amino]-4-chlorobenzoate
CID 113131614

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide (CID 113129740) is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide is CC(=O)N(CCC(=O)NCCC(C)C)c1ccccc1OC(C)C.
What is the InChIKey of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is XIKXCMBODAMOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)10-12-20-19(23)11-13-21(16(5)22)17-8-6-7-9-18(17)24-15(3)4/h6-9,14-15H,10-13H2,1-5H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide?
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113129740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).