3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C26H35N3O5 — CID 55770964

IUPAC3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)N2CCCC2)cc1
InChIInChI=1S/C26H35N3O5/c1-18(2)28-25(30)17-34-23-12-9-20(15-24(23)33-4)26(31)27-16-22(29-13-5-6-14-29)19-7-10-21(32-3)11-8-19/h7-12,15,18,22H,5-6,13-14,16-17H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyDVWZLNJEVWKRNL-UHFFFAOYSA-N
MW469.58 g/mol
LogP3.17
Rot. Bonds11

About 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 55770964) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID55770964
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Name3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)N2CCCC2)cc1
InChIInChI=1S/C26H35N3O5/c1-18(2)28-25(30)17-34-23-12-9-20(15-24(23)33-4)26(31)27-16-22(29-13-5-6-14-29)19-7-10-21(32-3)11-8-19/h7-12,15,18,22H,5-6,13-14,16-17H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyDVWZLNJEVWKRNL-UHFFFAOYSA-N
XLogP3.17
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 43006598
4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 55347845
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 55770964) is 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is COc1ccc(C(CNC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)N2CCCC2)cc1.
What is the InChIKey of 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is DVWZLNJEVWKRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-18(2)28-25(30)17-34-23-12-9-20(15-24(23)33-4)26(31)27-16-22(29-13-5-6-14-29)19-7-10-21(32-3)11-8-19/h7-12,15,18,22H,5-6,13-14,16-17H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 469.58 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 55770964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).