N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide

C14H22N2O2 — CID 43547827

IUPACN-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-11(2)7-8-14(18)16(9-10-17)13-6-4-3-5-12(13)15/h3-6,11,17H,7-10,15H2,1-2H3
InChIKeyFJUDFZKAAZPAKW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds6

About N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide

N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide (PubChem CID 43547827) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
PubChem CID43547827
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCO)c1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-11(2)7-8-14(18)16(9-10-17)13-6-4-3-5-12(13)15/h3-6,11,17H,7-10,15H2,1-2H3
InChIKeyFJUDFZKAAZPAKW-UHFFFAOYSA-N
XLogP2.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-2-(2-chlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 43547854
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 43547876
N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide
CID 114457031
3-[2-amino-N-(3-methylpentanoyl)anilino]propanoic acid
CID 114873529
N-(2-aminophenyl)-2,6-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547863
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801123
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 43547919
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 79986014
N-(2-aminophenyl)-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298336

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide?
The IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide (CID 43547827) is N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide?
The canonical SMILES for N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide is CC(C)CCC(=O)N(CCO)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide?
The InChIKey is FJUDFZKAAZPAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)7-8-14(18)16(9-10-17)13-6-4-3-5-12(13)15/h3-6,11,17H,7-10,15H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide?
N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide is sourced from PubChem (CID 43547827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).