4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide

C18H26N2O3 — CID 166276737

IUPAC4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C2CC(NC(=O)C3(C)CC(OC)CN3)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(10-16(23-3)11-19-18)17(21)20-14-8-13(9-14)12-4-6-15(22-2)7-5-12/h4-7,13-14,16,19H,8-11H2,1-3H3,(H,20,21)
InChIKeyVDNWIQYIFFTADE-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.82
Rot. Bonds5

About 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide

4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 166276737) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID166276737
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C2CC(NC(=O)C3(C)CC(OC)CN3)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(10-16(23-3)11-19-18)17(21)20-14-8-13(9-14)12-4-6-15(22-2)7-5-12/h4-7,13-14,16,19H,8-11H2,1-3H3,(H,20,21)
InChIKeyVDNWIQYIFFTADE-UHFFFAOYSA-N
XLogP1.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
N-[5-(4-methoxyphenyl)-1-methylpiperidin-3-yl]acetamide
CID 112541659
methyl 4-(4-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylate
CID 117270279
N-(3-isothiocyanatocyclobutyl)-3-(4-methoxyphenyl)cyclobutane-1-carboxamide
CID 146236598
3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
CID 106100153
N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679928
5-(4-methoxyphenyl)-3,3-dimethylpiperidine
CID 82285929
N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 43632787

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide (CID 166276737) is 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide is COc1ccc(C2CC(NC(=O)C3(C)CC(OC)CN3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is VDNWIQYIFFTADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(10-16(23-3)11-19-18)17(21)20-14-8-13(9-14)12-4-6-15(22-2)7-5-12/h4-7,13-14,16,19H,8-11H2,1-3H3,(H,20,21).
What are the key properties of 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide?
4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166276737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).