N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide

C21H26N2O3 — CID 55799582

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)N2CCCC2c2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O3/c1-15(18-12-11-17(25-2)14-20(18)26-3)22-21(24)23-13-7-10-19(23)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15,19H,7,10,13H2,1-3H3,(H,22,24)
InChIKeyDGTVSBRMZPRGSZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide (PubChem CID 55799582) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
PubChem CID55799582
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)N2CCCC2c2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O3/c1-15(18-12-11-17(25-2)14-20(18)26-3)22-21(24)23-13-7-10-19(23)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15,19H,7,10,13H2,1-3H3,(H,22,24)
InChIKeyDGTVSBRMZPRGSZ-UHFFFAOYSA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 55793974
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 60600352
(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124872162
(2R)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121992
(2R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121993
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121994
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 56796210
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 55799797

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide (CID 55799582) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide is COc1ccc(C(C)NC(=O)N2CCCC2c2ccccc2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide?
The InChIKey is DGTVSBRMZPRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(18-12-11-17(25-2)14-20(18)26-3)22-21(24)23-13-7-10-19(23)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15,19H,7,10,13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 55799582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).