4-butan-2-yloxy-3-ethoxybenzamide

C13H19NO3 — CID 6457722

IUPAC4-butan-2-yloxy-3-ethoxybenzamide
SMILESCCOc1cc(C(N)=O)ccc1OC(C)CC
InChIInChI=1S/C13H19NO3/c1-4-9(3)17-11-7-6-10(13(14)15)8-12(11)16-5-2/h6-9H,4-5H2,1-3H3,(H2,14,15)
InChIKeySSMKMOXSNCWKJZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds6

About 4-butan-2-yloxy-3-ethoxybenzamide

4-butan-2-yloxy-3-ethoxybenzamide (PubChem CID 6457722) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-butan-2-yloxy-3-ethoxybenzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-3-ethoxybenzamide
PubChem CID6457722
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-butan-2-yloxy-3-ethoxybenzamide
SMILESCCOc1cc(C(N)=O)ccc1OC(C)CC
InChIInChI=1S/C13H19NO3/c1-4-9(3)17-11-7-6-10(13(14)15)8-12(11)16-5-2/h6-9H,4-5H2,1-3H3,(H2,14,15)
InChIKeySSMKMOXSNCWKJZ-UHFFFAOYSA-N
XLogP2.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yl 3,4-diethoxybenzoate
CID 82186290
ethyl 2-(4-carbamothioyl-2-ethoxyphenoxy)butanoate
CID 64663367
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400
3-(2-ethoxy-4-formylphenoxy)butanamide
CID 123605101
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
CID 93007101
bis(3,4-diethoxyphenyl)methanone
CID 135325793
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one
CID 142284690
ethyl 3,4-diethoxybenzoate
CID 586407

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-3-ethoxybenzamide?
The IUPAC name of 4-butan-2-yloxy-3-ethoxybenzamide (CID 6457722) is 4-butan-2-yloxy-3-ethoxybenzamide.
What is the SMILES notation for 4-butan-2-yloxy-3-ethoxybenzamide?
The canonical SMILES for 4-butan-2-yloxy-3-ethoxybenzamide is CCOc1cc(C(N)=O)ccc1OC(C)CC.
What is the InChIKey of 4-butan-2-yloxy-3-ethoxybenzamide?
The InChIKey is SSMKMOXSNCWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-9(3)17-11-7-6-10(13(14)15)8-12(11)16-5-2/h6-9H,4-5H2,1-3H3,(H2,14,15).
What are the key properties of 4-butan-2-yloxy-3-ethoxybenzamide?
4-butan-2-yloxy-3-ethoxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-3-ethoxybenzamide is sourced from PubChem (CID 6457722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).