N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide

C15H21NO3 — CID 82156414

IUPACN-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide
SMILESCCCOc1ccc(C(C)=O)cc1NC(=O)C(C)C
InChIInChI=1S/C15H21NO3/c1-5-8-19-14-7-6-12(11(4)17)9-13(14)16-15(18)10(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,18)
InChIKeyFQVCOAYRXQHJCS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.27
Rot. Bonds6

About N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide

N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide (PubChem CID 82156414) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide
PubChem CID82156414
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide
SMILESCCCOc1ccc(C(C)=O)cc1NC(=O)C(C)C
InChIInChI=1S/C15H21NO3/c1-5-8-19-14-7-6-12(11(4)17)9-13(14)16-15(18)10(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,18)
InChIKeyFQVCOAYRXQHJCS-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide
CID 82156416
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
CID 94763143
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
CID 110493768
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide (CID 82156414) is N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide is CCCOc1ccc(C(C)=O)cc1NC(=O)C(C)C.
What is the InChIKey of N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide?
The InChIKey is FQVCOAYRXQHJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-8-19-14-7-6-12(11(4)17)9-13(14)16-15(18)10(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,18).
What are the key properties of N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide?
N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 82156414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).