2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

C16H26N2O2 — CID 81322635

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cc1ccccc1CN
InChIInChI=1S/C16H26N2O2/c1-12(2)9-16(3,20)11-18-15(19)8-13-6-4-5-7-14(13)10-17/h4-7,12,20H,8-11,17H2,1-3H3,(H,18,19)
InChIKeyCRGUXRSGGRPYCH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.60
Rot. Bonds7

About 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (PubChem CID 81322635) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
PubChem CID81322635
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)Cc1ccccc1CN
InChIInChI=1S/C16H26N2O2/c1-12(2)9-16(3,20)11-18-15(19)8-13-6-4-5-7-14(13)10-17/h4-7,12,20H,8-11,17H2,1-3H3,(H,18,19)
InChIKeyCRGUXRSGGRPYCH-UHFFFAOYSA-N
XLogP1.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
CID 66178919
2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
CID 66173478
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66172270

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (CID 81322635) is 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is CC(C)CC(C)(O)CNC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The InChIKey is CRGUXRSGGRPYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-16(3,20)11-18-15(19)8-13-6-4-5-7-14(13)10-17/h4-7,12,20H,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is sourced from PubChem (CID 81322635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).