3-butoxy-N-(3-ethoxyphenyl)benzamide

C19H23NO3 — CID 17098184

IUPAC3-butoxy-N-(3-ethoxyphenyl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(OCC)c2)c1
InChIInChI=1S/C19H23NO3/c1-3-5-12-23-17-10-6-8-15(13-17)19(21)20-16-9-7-11-18(14-16)22-4-2/h6-11,13-14H,3-5,12H2,1-2H3,(H,20,21)
InChIKeyNJAKMBXTZLXRKB-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.52
Rot. Bonds8

About 3-butoxy-N-(3-ethoxyphenyl)benzamide

3-butoxy-N-(3-ethoxyphenyl)benzamide (PubChem CID 17098184) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-butoxy-N-(3-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-butoxy-N-(3-ethoxyphenyl)benzamide
PubChem CID17098184
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-butoxy-N-(3-ethoxyphenyl)benzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(OCC)c2)c1
InChIInChI=1S/C19H23NO3/c1-3-5-12-23-17-10-6-8-15(13-17)19(21)20-16-9-7-11-18(14-16)22-4-2/h6-11,13-14H,3-5,12H2,1-2H3,(H,20,21)
InChIKeyNJAKMBXTZLXRKB-UHFFFAOYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
CID 17095050

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(3-ethoxyphenyl)benzamide?
The IUPAC name of 3-butoxy-N-(3-ethoxyphenyl)benzamide (CID 17098184) is 3-butoxy-N-(3-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-butoxy-N-(3-ethoxyphenyl)benzamide?
The canonical SMILES for 3-butoxy-N-(3-ethoxyphenyl)benzamide is CCCCOc1cccc(C(=O)Nc2cccc(OCC)c2)c1.
What is the InChIKey of 3-butoxy-N-(3-ethoxyphenyl)benzamide?
The InChIKey is NJAKMBXTZLXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-5-12-23-17-10-6-8-15(13-17)19(21)20-16-9-7-11-18(14-16)22-4-2/h6-11,13-14H,3-5,12H2,1-2H3,(H,20,21).
What are the key properties of 3-butoxy-N-(3-ethoxyphenyl)benzamide?
3-butoxy-N-(3-ethoxyphenyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(3-ethoxyphenyl)benzamide is sourced from PubChem (CID 17098184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).