3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

C21H24N2O4 — CID 110612243

IUPAC3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCC(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C21H24N2O4/c1-25-18-5-3-2-4-15(18)8-10-22-21(24)23-11-9-17(13-23)16-6-7-19-20(12-16)27-14-26-19/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyVVDXWXUYDPCYFW-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.17
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 110612243) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID110612243
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCC(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C21H24N2O4/c1-25-18-5-3-2-4-15(18)8-10-22-21(24)23-11-9-17(13-23)16-6-7-19-20(12-16)27-14-26-19/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyVVDXWXUYDPCYFW-UHFFFAOYSA-N
XLogP3.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197724
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 110628856
(E)-1-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 117055158
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine;oxalic acid
CID 17367665
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 24513177
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 94919298
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-(1,3-benzodioxol-5-yl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109293
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 72837983
4-(adamantane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 47016204

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (CID 110612243) is 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is COc1ccccc1CCNC(=O)N1CCC(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is VVDXWXUYDPCYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-25-18-5-3-2-4-15(18)8-10-22-21(24)23-11-9-17(13-23)16-6-7-19-20(12-16)27-14-26-19/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 110612243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).