1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide

C20H24N2O2 — CID 50965643

IUPAC1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC(c2ccncc2)c2ccc(C)cc2)CCC1
InChIInChI=1S/C20H24N2O2/c1-15-4-6-16(7-5-15)18(17-8-12-21-13-9-17)22-19(23)20(14-24-2)10-3-11-20/h4-9,12-13,18H,3,10-11,14H2,1-2H3,(H,22,23)
InChIKeyRXAUHTBVXGCQAZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.41
Rot. Bonds6

About 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide (PubChem CID 50965643) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide
PubChem CID50965643
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC(c2ccncc2)c2ccc(C)cc2)CCC1
InChIInChI=1S/C20H24N2O2/c1-15-4-6-16(7-5-15)18(17-8-12-21-13-9-17)22-19(23)20(14-24-2)10-3-11-20/h4-9,12-13,18H,3,10-11,14H2,1-2H3,(H,22,23)
InChIKeyRXAUHTBVXGCQAZ-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
1-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143298
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 95120246
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
CID 126423150
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
1-(methoxymethyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 95126675
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 95209344
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125443369
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide (CID 50965643) is 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide is COCC1(C(=O)NC(c2ccncc2)c2ccc(C)cc2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide?
The InChIKey is RXAUHTBVXGCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-4-6-16(7-5-15)18(17-8-12-21-13-9-17)22-19(23)20(14-24-2)10-3-11-20/h4-9,12-13,18H,3,10-11,14H2,1-2H3,(H,22,23).
What are the key properties of 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 50965643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).