2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide

C19H23NO3 — CID 4940660

IUPAC2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-4-22-18-8-6-5-7-17(18)19(21)20-15-9-11-16(12-10-15)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyZRXUMQMKKYNWPJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.37
Rot. Bonds7

About 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide

2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide (PubChem CID 4940660) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
PubChem CID4940660
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-4-22-18-8-6-5-7-17(18)19(21)20-15-9-11-16(12-10-15)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyZRXUMQMKKYNWPJ-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609
N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4945641
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
N-(4-butan-2-ylphenyl)-2-ethoxybenzamide
CID 2852282
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-[4-(2-methylpropoxy)phenyl]-2-nitrobenzamide
CID 4940473

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide (CID 4940660) is 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is ZRXUMQMKKYNWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-22-18-8-6-5-7-17(18)19(21)20-15-9-11-16(12-10-15)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21).
What are the key properties of 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide?
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 4940660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).