N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide

C16H23NO2 — CID 110478485

IUPACN-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
SMILESCOc1ccc(C2(CNC(=O)C(C)C)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)15(18)17-11-16(9-4-10-16)13-5-7-14(19-3)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyREKDSWVRVGCIAI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide

N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide (PubChem CID 110478485) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
PubChem CID110478485
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
SMILESCOc1ccc(C2(CNC(=O)C(C)C)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)15(18)17-11-16(9-4-10-16)13-5-7-14(19-3)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyREKDSWVRVGCIAI-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
CID 75395672
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122009760
2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119750018
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide (CID 110478485) is N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide is COc1ccc(C2(CNC(=O)C(C)C)CCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide?
The InChIKey is REKDSWVRVGCIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)15(18)17-11-16(9-4-10-16)13-5-7-14(19-3)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide?
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 110478485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).