3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide

C20H25NO3 — CID 17140377

IUPAC3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C20H25NO3/c1-4-11-23-19-10-6-8-17(13-19)21-20(22)16-7-5-9-18(12-16)24-14-15(2)3/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,22)
InChIKeyPOOWDAIYOWIZOA-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.76
Rot. Bonds8

About 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide

3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide (PubChem CID 17140377) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
PubChem CID17140377
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C20H25NO3/c1-4-11-23-19-10-6-8-17(13-19)21-20(22)16-7-5-9-18(12-16)24-14-15(2)3/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,22)
InChIKeyPOOWDAIYOWIZOA-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide (CID 17140377) is 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide is CCCOc1cccc(NC(=O)c2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
The InChIKey is POOWDAIYOWIZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-11-23-19-10-6-8-17(13-19)21-20(22)16-7-5-9-18(12-16)24-14-15(2)3/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide?
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide has a molecular weight of 327.42 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide is sourced from PubChem (CID 17140377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).