2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide

C15H22N2O2 — CID 102858984

IUPAC2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
SMILESNCc1ccc(CC(=O)N(CCO)C2CCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-11-13-6-4-12(5-7-13)10-15(19)17(8-9-18)14-2-1-3-14/h4-7,14,18H,1-3,8-11,16H2
InChIKeyDVYVKKQHBVOBNQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.06
Rot. Bonds6

About 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide

2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide (PubChem CID 102858984) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
PubChem CID102858984
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
SMILESNCc1ccc(CC(=O)N(CCO)C2CCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-11-13-6-4-12(5-7-13)10-15(19)17(8-9-18)14-2-1-3-14/h4-7,14,18H,1-3,8-11,16H2
InChIKeyDVYVKKQHBVOBNQ-UHFFFAOYSA-N
XLogP1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 63589438
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
N-cyclobutyl-N-(2-hydroxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 102684894
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 102684283
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(3-aminopropyl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 43136754
N-cyclopentyl-N-(2-hydroxyethyl)-2-(2-methylphenyl)acetamide
CID 54994021
N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide
CID 63754631

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide (CID 102858984) is 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide is NCc1ccc(CC(=O)N(CCO)C2CCC2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is DVYVKKQHBVOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-13-6-4-12(5-7-13)10-15(19)17(8-9-18)14-2-1-3-14/h4-7,14,18H,1-3,8-11,16H2.
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 102858984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).