4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide

C20H21NO3 — CID 86938319

IUPAC4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide
SMILESC#CCOc1ccc(N(C)C(=O)c2ccc(OCC)c(C)c2)cc1
InChIInChI=1S/C20H21NO3/c1-5-13-24-18-10-8-17(9-11-18)21(4)20(22)16-7-12-19(23-6-2)15(3)14-16/h1,7-12,14H,6,13H2,2-4H3
InChIKeyFXSDWVYPDJWPBQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.68
Rot. Bonds6

About 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide

4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide (PubChem CID 86938319) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide
PubChem CID86938319
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide
SMILESC#CCOc1ccc(N(C)C(=O)c2ccc(OCC)c(C)c2)cc1
InChIInChI=1S/C20H21NO3/c1-5-13-24-18-10-8-17(9-11-18)21(4)20(22)16-7-12-19(23-6-2)15(3)14-16/h1,7-12,14H,6,13H2,2-4H3
InChIKeyFXSDWVYPDJWPBQ-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(4-prop-2-ynoxyphenyl)-3-pyrrol-1-ylbenzamide
CID 86900039
N-(2,3-dimethylphenyl)-4-ethoxy-N,3-dimethylbenzamide
CID 86938178
3-[(4-cyanophenoxy)methyl]-N-methyl-N-(4-prop-2-ynoxyphenyl)benzamide
CID 86954216
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
CID 78783998
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide
CID 100624954
N,3,5-trimethyl-1-propyl-N-(4-prop-2-ynoxyphenyl)pyrazole-4-carboxamide
CID 84587409
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
3,4-diethoxy-N-ethyl-N-prop-2-ynylbenzamide
CID 78970389

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide?
The IUPAC name of 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide (CID 86938319) is 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide?
The canonical SMILES for 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide is C#CCOc1ccc(N(C)C(=O)c2ccc(OCC)c(C)c2)cc1.
What is the InChIKey of 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide?
The InChIKey is FXSDWVYPDJWPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-5-13-24-18-10-8-17(9-11-18)21(4)20(22)16-7-12-19(23-6-2)15(3)14-16/h1,7-12,14H,6,13H2,2-4H3.
What are the key properties of 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide?
4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide has a molecular weight of 323.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide is sourced from PubChem (CID 86938319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).