2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide

C16H24N2O2 — CID 81179040

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-14-7-4-3-6-13(14)18-15(19)11-16(12-17)8-5-9-16/h3-4,6-7H,2,5,8-12,17H2,1H3,(H,18,19)
InChIKeySYSZSWNALDCNTF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide (PubChem CID 81179040) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
PubChem CID81179040
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-14-7-4-3-6-13(14)18-15(19)11-16(12-17)8-5-9-16/h3-4,6-7H,2,5,8-12,17H2,1H3,(H,18,19)
InChIKeySYSZSWNALDCNTF-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
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-(2-propan-2-yloxyphenyl)acetamide
CID 81179451
1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
CID 81173162
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 81168561
[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
CID 4589541
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide (CID 81179040) is 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide?
The InChIKey is SYSZSWNALDCNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-20-14-7-4-3-6-13(14)18-15(19)11-16(12-17)8-5-9-16/h3-4,6-7H,2,5,8-12,17H2,1H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 7 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-propoxyphenyl)acetamide is sourced from PubChem (CID 81179040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).