3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

C23H28N2O4 — CID 46467040

IUPAC3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-20-11-10-18(15-21(20)29-4-2)22(26)24-16-17-8-7-9-19(14-17)23(27)25-12-5-6-13-25/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,24,26)
InChIKeyLNODOKYBRXDDJM-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.65
Rot. Bonds8

About 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 46467040) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID46467040
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-20-11-10-18(15-21(20)29-4-2)22(26)24-16-17-8-7-9-19(14-17)23(27)25-12-5-6-13-25/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,24,26)
InChIKeyLNODOKYBRXDDJM-UHFFFAOYSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55710063
N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
CID 55804667
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 46467040) is 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is CCOc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is LNODOKYBRXDDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-20-11-10-18(15-21(20)29-4-2)22(26)24-16-17-8-7-9-19(14-17)23(27)25-12-5-6-13-25/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,24,26).
What are the key properties of 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46467040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).