N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide

C14H19NO3 — CID 135313535

IUPACN-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide
SMILESCOc1ccc(CC2(NC=O)CCC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-17-12-5-4-11(8-13(12)18-2)9-14(15-10-16)6-3-7-14/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyURYUFKOUZFOTGM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds6

About N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide

N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide (PubChem CID 135313535) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide
PubChem CID135313535
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide
SMILESCOc1ccc(CC2(NC=O)CCC2)cc1OC
InChIInChI=1S/C14H19NO3/c1-17-12-5-4-11(8-13(12)18-2)9-14(15-10-16)6-3-7-14/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyURYUFKOUZFOTGM-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-N-iodocyclopropan-1-amine
CID 143235637
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
1-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 80587959
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2063611
N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 113313423
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide?
The IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide (CID 135313535) is N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide.
What is the SMILES notation for N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide?
The canonical SMILES for N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide is COc1ccc(CC2(NC=O)CCC2)cc1OC.
What is the InChIKey of N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide?
The InChIKey is URYUFKOUZFOTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-5-4-11(8-13(12)18-2)9-14(15-10-16)6-3-7-14/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide?
N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide has a molecular weight of 249.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide is sourced from PubChem (CID 135313535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).