2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide

C16H24N2O2 — CID 81173162

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
SMILESCCOc1cc(C)ccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-14-9-12(2)5-6-13(14)18-15(19)10-16(11-17)7-4-8-16/h5-6,9H,3-4,7-8,10-11,17H2,1-2H3,(H,18,19)
InChIKeyVFNFBLBNPPPMOM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide (PubChem CID 81173162) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
PubChem CID81173162
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
SMILESCCOc1cc(C)ccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-14-9-12(2)5-6-13(14)18-15(19)10-16(11-17)7-4-8-16/h5-6,9H,3-4,7-8,10-11,17H2,1-2H3,(H,18,19)
InChIKeyVFNFBLBNPPPMOM-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide
CID 81173247
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethoxy-2-methylphenyl)acetamide
CID 81172405
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887
2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 81179451
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
4-amino-N-(2-ethoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294126
2-[1-(aminomethyl)cyclobutyl]-1-(3,4-diethoxyphenyl)ethanone
CID 116599582
2-(1-hydroxycyclopentyl)-N-(2-methoxy-4-methylphenyl)acetamide
CID 111537056
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
2-(3-aminophenyl)-N-(2-ethoxy-4-methylphenyl)acetamide
CID 62500140

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide (CID 81173162) is 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide is CCOc1cc(C)ccc1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide?
The InChIKey is VFNFBLBNPPPMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-14-9-12(2)5-6-13(14)18-15(19)10-16(11-17)7-4-8-16/h5-6,9H,3-4,7-8,10-11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 81173162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).