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

C14H22N2O — CID 113315023

IUPAC2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)Cc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-4-14(3,5-2)16-13(17)10-11-8-6-7-9-12(11)15/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyNEYRKAXIKXFSLP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds5

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

2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide (PubChem CID 113315023) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
PubChem CID113315023
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)Cc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-4-14(3,5-2)16-13(17)10-11-8-6-7-9-12(11)15/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyNEYRKAXIKXFSLP-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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Related Compounds

2-(2-aminophenyl)-N-methylacetamide
CID 16772909
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
CID 114153124
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide
CID 106169006
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076
2-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 61118028
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide (CID 113315023) is 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide is CCC(C)(CC)NC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
The InChIKey is NEYRKAXIKXFSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-14(3,5-2)16-13(17)10-11-8-6-7-9-12(11)15/h6-9H,4-5,10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide?
2-(2-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-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 113315023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).