3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C28H29N3O3 — CID 60572726

IUPAC3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N2CCCC2)c1
InChIInChI=1S/C28H29N3O3/c1-33-25-12-6-10-21(16-25)27(31-14-4-5-15-31)19-30-28(32)22-11-7-13-26(17-22)34-20-24-9-3-2-8-23(24)18-29/h2-3,6-13,16-17,27H,4-5,14-15,19-20H2,1H3,(H,30,32)
InChIKeyZJUHYIDPFVRMCJ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.71
Rot. Bonds9

About 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 60572726) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID60572726
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N2CCCC2)c1
InChIInChI=1S/C28H29N3O3/c1-33-25-12-6-10-21(16-25)27(31-14-4-5-15-31)19-30-28(32)22-11-7-13-26(17-22)34-20-24-9-3-2-8-23(24)18-29/h2-3,6-13,16-17,27H,4-5,14-15,19-20H2,1H3,(H,30,32)
InChIKeyZJUHYIDPFVRMCJ-UHFFFAOYSA-N
XLogP4.71
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-[(2-cyanophenyl)methoxy]-N-prop-2-ynylbenzamide
CID 47070755
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
5-(methoxymethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 78840080
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)-3-nitrobenzamide
CID 46521864

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 60572726) is 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N2CCCC2)c1.
What is the InChIKey of 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is ZJUHYIDPFVRMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-33-25-12-6-10-21(16-25)27(31-14-4-5-15-31)19-30-28(32)22-11-7-13-26(17-22)34-20-24-9-3-2-8-23(24)18-29/h2-3,6-13,16-17,27H,4-5,14-15,19-20H2,1H3,(H,30,32).
What are the key properties of 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 60572726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).