3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide

C19H23NO3 — CID 78783998

IUPAC3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)c2ccccc2)cc1OCC
InChIInChI=1S/C19H23NO3/c1-4-13-23-17-12-11-15(14-18(17)22-5-2)19(21)20(3)16-9-7-6-8-10-16/h6-12,14H,4-5,13H2,1-3H3
InChIKeyRBELOKCWUUIDMM-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.15
Rot. Bonds7

About 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide

3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide (PubChem CID 78783998) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
PubChem CID78783998
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)c2ccccc2)cc1OCC
InChIInChI=1S/C19H23NO3/c1-4-13-23-17-12-11-15(14-18(17)22-5-2)19(21)20(3)16-9-7-6-8-10-16/h6-12,14H,4-5,13H2,1-3H3
InChIKeyRBELOKCWUUIDMM-UHFFFAOYSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
CID 134028659
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501259
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678
3-bromo-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxybenzamide
CID 17228010
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide (CID 78783998) is 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide is CCCOc1ccc(C(=O)N(C)c2ccccc2)cc1OCC.
What is the InChIKey of 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide?
The InChIKey is RBELOKCWUUIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-13-23-17-12-11-15(14-18(17)22-5-2)19(21)20(3)16-9-7-6-8-10-16/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide?
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide is sourced from PubChem (CID 78783998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).