N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide

C16H24N2O2 — CID 103161521

IUPACN-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide
SMILESCCOC1CC(CC(=O)N(C)Cc2ccccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-3-20-14-8-12(9-14)10-16(19)18(2)11-13-6-4-5-7-15(13)17/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyTVIMFJRONSXJOP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide

N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide (PubChem CID 103161521) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide
PubChem CID103161521
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide
SMILESCCOC1CC(CC(=O)N(C)Cc2ccccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-3-20-14-8-12(9-14)10-16(19)18(2)11-13-6-4-5-7-15(13)17/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyTVIMFJRONSXJOP-UHFFFAOYSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid
CID 103161788
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide (CID 103161521) is N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide is CCOC1CC(CC(=O)N(C)Cc2ccccc2N)C1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The InChIKey is TVIMFJRONSXJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-14-8-12(9-14)10-16(19)18(2)11-13-6-4-5-7-15(13)17/h4-7,12,14H,3,8-11,17H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide?
N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103161521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).