1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide

C22H25ClN2O2 — CID 131911633

IUPAC1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(N(Cc1ccccn1)CC1CCCO1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H25ClN2O2/c23-18-9-7-17(8-10-18)22(11-4-12-22)21(26)25(16-20-6-3-14-27-20)15-19-5-1-2-13-24-19/h1-2,5,7-10,13,20H,3-4,6,11-12,14-16H2
InChIKeyLBUPAECYGQRYJP-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 131911633) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID131911633
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(N(Cc1ccccn1)CC1CCCO1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H25ClN2O2/c23-18-9-7-17(8-10-18)22(11-4-12-22)21(26)25(16-20-6-3-14-27-20)15-19-5-1-2-13-24-19/h1-2,5,7-10,13,20H,3-4,6,11-12,14-16H2
InChIKeyLBUPAECYGQRYJP-UHFFFAOYSA-N
XLogP4.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 92612247
3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46978882
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92613662
5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 171700054
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
3-(4-chloro-2-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 17369615
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 119066058
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide (CID 131911633) is 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide is O=C(N(Cc1ccccn1)CC1CCCO1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is LBUPAECYGQRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-18-9-7-17(8-10-18)22(11-4-12-22)21(26)25(16-20-6-3-14-27-20)15-19-5-1-2-13-24-19/h1-2,5,7-10,13,20H,3-4,6,11-12,14-16H2.
What are the key properties of 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 131911633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).