3-ethyl-5-propan-2-yloxybenzamide

C12H17NO2 — CID 71048875

IUPAC3-ethyl-5-propan-2-yloxybenzamide
SMILESCCc1cc(OC(C)C)cc(C(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-4-9-5-10(12(13)14)7-11(6-9)15-8(2)3/h5-8H,4H2,1-3H3,(H2,13,14)
InChIKeyXSRCPAVYBWVHHJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.14
Rot. Bonds4

About 3-ethyl-5-propan-2-yloxybenzamide

3-ethyl-5-propan-2-yloxybenzamide (PubChem CID 71048875) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-ethyl-5-propan-2-yloxybenzamide
PubChem CID71048875
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-ethyl-5-propan-2-yloxybenzamide
SMILESCCc1cc(OC(C)C)cc(C(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-4-9-5-10(12(13)14)7-11(6-9)15-8(2)3/h5-8H,4H2,1-3H3,(H2,13,14)
InChIKeyXSRCPAVYBWVHHJ-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-5-propan-2-yloxyphenyl)prop-2-yn-1-one
CID 89224074
1-ethyl-3-(2-methylpropyl)-5-propan-2-yloxybenzene
CID 70932281
3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide
CID 67489450
3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide
CID 71048980
2-cyano-4-propan-2-yloxybenzamide
CID 67277993
(3-propoxycarbonylphenyl) 3-propan-2-yloxybenzoate
CID 17169726
butan-2-yl 3-propan-2-yloxybenzoate
CID 82186277
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
3-ethyl-5-[(3-methylphenyl)methyl]benzamide
CID 175279696
propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
methyl 3-ethyl-5-(methoxymethoxy)benzoate
CID 59017125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-yloxybenzamide?
The IUPAC name of 3-ethyl-5-propan-2-yloxybenzamide (CID 71048875) is 3-ethyl-5-propan-2-yloxybenzamide.
What is the SMILES notation for 3-ethyl-5-propan-2-yloxybenzamide?
The canonical SMILES for 3-ethyl-5-propan-2-yloxybenzamide is CCc1cc(OC(C)C)cc(C(N)=O)c1.
What is the InChIKey of 3-ethyl-5-propan-2-yloxybenzamide?
The InChIKey is XSRCPAVYBWVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9-5-10(12(13)14)7-11(6-9)15-8(2)3/h5-8H,4H2,1-3H3,(H2,13,14).
What are the key properties of 3-ethyl-5-propan-2-yloxybenzamide?
3-ethyl-5-propan-2-yloxybenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-yloxybenzamide is sourced from PubChem (CID 71048875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).