3-propoxybenzamide

C10H13NO2 — CID 22311435

IUPAC3-propoxybenzamide
SMILESCCCOc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13NO2/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H2,11,12)
InChIKeyCGBSBLJPTFJTLZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.57
Rot. Bonds4

About 3-propoxybenzamide

3-propoxybenzamide (PubChem CID 22311435) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-propoxybenzamide.

Molecular Properties

Compound Name3-propoxybenzamide
PubChem CID22311435
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-propoxybenzamide
SMILESCCCOc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13NO2/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H2,11,12)
InChIKeyCGBSBLJPTFJTLZ-UHFFFAOYSA-N
XLogP1.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-butoxypentoxy)benzamide
CID 71713772
3-[(3-propoxyphenyl)methylamino]benzamide
CID 61016518
3-(6-bromohexoxy)benzamide
CID 59402930
acetyl 3-propoxybenzoate
CID 54339605
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-(10-bromodecoxy)benzamide
CID 59402968
3-(2-phenylethoxy)benzamide
CID 17135006
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
propan-2-yl 3-propoxybenzoate
CID 60979538
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565

Frequently Asked Questions

What is the IUPAC name of 3-propoxybenzamide?
The IUPAC name of 3-propoxybenzamide (CID 22311435) is 3-propoxybenzamide.
What is the SMILES notation for 3-propoxybenzamide?
The canonical SMILES for 3-propoxybenzamide is CCCOc1cccc(C(N)=O)c1.
What is the InChIKey of 3-propoxybenzamide?
The InChIKey is CGBSBLJPTFJTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H2,11,12).
What are the key properties of 3-propoxybenzamide?
3-propoxybenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxybenzamide is sourced from PubChem (CID 22311435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).