1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide

C22H26N2O2 — CID 110439047

IUPAC1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC1
InChIInChI=1S/C22H26N2O2/c1-26-20-8-3-2-7-19(20)22(13-6-14-22)21(25)23-17-9-11-18(12-10-17)24-15-4-5-16-24/h2-3,7-12H,4-6,13-16H2,1H3,(H,23,25)
InChIKeyKNYZIAVIDKNFHN-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.36
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide

1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 110439047) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
PubChem CID110439047
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC1
InChIInChI=1S/C22H26N2O2/c1-26-20-8-3-2-7-19(20)22(13-6-14-22)21(25)23-17-9-11-18(12-10-17)24-15-4-5-16-24/h2-3,7-12H,4-6,13-16H2,1H3,(H,23,25)
InChIKeyKNYZIAVIDKNFHN-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
CID 110439045
1-(2-methoxyphenyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 110439711
1-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 110424930
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
1-N-[(2-methoxyphenyl)methyl]-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976256
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide (CID 110439047) is 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide is COc1ccccc1C1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is KNYZIAVIDKNFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-20-8-3-2-7-19(20)22(13-6-14-22)21(25)23-17-9-11-18(12-10-17)24-15-4-5-16-24/h2-3,7-12H,4-6,13-16H2,1H3,(H,23,25).
What are the key properties of 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110439047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).