2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide

C14H22N2O — CID 106327807

IUPAC2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-4-14(3,5-2)16-13(17)10-11-7-6-8-12(15)9-11/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyYYKLCTNSYCKJBI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds5

About 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide

2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide (PubChem CID 106327807) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
PubChem CID106327807
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-4-14(3,5-2)16-13(17)10-11-7-6-8-12(15)9-11/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyYYKLCTNSYCKJBI-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide (CID 106327807) is 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide is CCC(C)(CC)NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
The InChIKey is YYKLCTNSYCKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-14(3,5-2)16-13(17)10-11-7-6-8-12(15)9-11/h6-9H,4-5,10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 106327807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).