N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C22H28N2O3 — CID 55793974

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NC(C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C22H28N2O3/c1-15-10-11-21(27-4)19(13-15)16(2)23-22(25)24-12-6-9-20(24)17-7-5-8-18(14-17)26-3/h5,7-8,10-11,13-14,16,20H,6,9,12H2,1-4H3,(H,23,25)
InChIKeyUAOFXZZBLHFOTP-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 55793974) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID55793974
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NC(C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C22H28N2O3/c1-15-10-11-21(27-4)19(13-15)16(2)23-22(25)24-12-6-9-20(24)17-7-5-8-18(14-17)26-3/h5,7-8,10-11,13-14,16,20H,6,9,12H2,1-4H3,(H,23,25)
InChIKeyUAOFXZZBLHFOTP-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
CID 55799582
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 55799797
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
(2R)-2-imidazol-1-yl-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94117679
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 60600352
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 55793974) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc(C2CCCN2C(=O)NC(C)c2cc(C)ccc2OC)c1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is UAOFXZZBLHFOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-10-11-21(27-4)19(13-15)16(2)23-22(25)24-12-6-9-20(24)17-7-5-8-18(14-17)26-3/h5,7-8,10-11,13-14,16,20H,6,9,12H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 55793974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).