3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

C26H28N2O4 — CID 46526102

IUPAC3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-30-23-16-20(17-24(31-2)25(23)32-18-19-10-4-3-5-11-19)26(29)27-21-12-6-7-13-22(21)28-14-8-9-15-28/h3-7,10-13,16-17H,8-9,14-15,18H2,1-2H3,(H,27,29)
InChIKeyBPSSUVFXXSNIEW-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.14
Rot. Bonds8

About 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide

3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 46526102) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID46526102
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-30-23-16-20(17-24(31-2)25(23)32-18-19-10-4-3-5-11-19)26(29)27-21-12-6-7-13-22(21)28-14-8-9-15-28/h3-7,10-13,16-17H,8-9,14-15,18H2,1-2H3,(H,27,29)
InChIKeyBPSSUVFXXSNIEW-UHFFFAOYSA-N
XLogP5.14
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
CID 16567479
N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 46526102) is 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2N2CCCC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is BPSSUVFXXSNIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-30-23-16-20(17-24(31-2)25(23)32-18-19-10-4-3-5-11-19)26(29)27-21-12-6-7-13-22(21)28-14-8-9-15-28/h3-7,10-13,16-17H,8-9,14-15,18H2,1-2H3,(H,27,29).
What are the key properties of 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide?
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 46526102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).