N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide

C15H19NO3 — CID 110478355

IUPACN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
SMILESCOc1ccccc1C1(CNC(=O)C(C)=O)CCC1
InChIInChI=1S/C15H19NO3/c1-11(17)14(18)16-10-15(8-5-9-15)12-6-3-4-7-13(12)19-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyPSMQSRAMDFQVQY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds5

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

N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide (PubChem CID 110478355) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
PubChem CID110478355
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
SMILESCOc1ccccc1C1(CNC(=O)C(C)=O)CCC1
InChIInChI=1S/C15H19NO3/c1-11(17)14(18)16-10-15(8-5-9-15)12-6-3-4-7-13(12)19-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyPSMQSRAMDFQVQY-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110446818
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110441168
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
methyl (2E,4Z)-6-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-2-methyl-5-(methylideneamino)-6-oxohexa-2,4-dienoate
CID 137429800

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide (CID 110478355) is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide is COc1ccccc1C1(CNC(=O)C(C)=O)CCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide?
The InChIKey is PSMQSRAMDFQVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)14(18)16-10-15(8-5-9-15)12-6-3-4-7-13(12)19-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide?
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide is sourced from PubChem (CID 110478355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).