N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide

C21H24N2O3 — CID 109044244

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-6-4-5-16(15-19)11-12-22-20(24)17-7-9-18(10-8-17)21(25)23-13-2-3-14-23/h4-10,15H,2-3,11-14H2,1H3,(H,22,24)
InChIKeyHZEYTWIGGSCFDH-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide

N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044244) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044244
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-6-4-5-16(15-19)11-12-22-20(24)17-7-9-18(10-8-17)21(25)23-13-2-3-14-23/h4-10,15H,2-3,11-14H2,1H3,(H,22,24)
InChIKeyHZEYTWIGGSCFDH-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081685
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044244) is N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide is COc1cccc(CCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is HZEYTWIGGSCFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-6-4-5-16(15-19)11-12-22-20(24)17-7-9-18(10-8-17)21(25)23-13-2-3-14-23/h4-10,15H,2-3,11-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide?
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).