N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide

C16H23NO2 — CID 111445600

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12-5-7-13(8-6-12)15(2,3)14(18)17-11-16(19)9-4-10-16/h5-8,19H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyXGHIGGWFQOYGRT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.30
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide

N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide (PubChem CID 111445600) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide
PubChem CID111445600
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12-5-7-13(8-6-12)15(2,3)14(18)17-11-16(19)9-4-10-16/h5-8,19H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyXGHIGGWFQOYGRT-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 111486402
2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 113198023
2-(4-fluorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]-2-methylpropanamide
CID 115643394
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
2-(4-methoxyphenyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110437831

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide (CID 111445600) is N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide is Cc1ccc(C(C)(C)C(=O)NCC2(O)CCC2)cc1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide?
The InChIKey is XGHIGGWFQOYGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-7-13(8-6-12)15(2,3)14(18)17-11-16(19)9-4-10-16/h5-8,19H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide?
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 111445600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).