2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide

C16H26N2O2 — CID 62498199

IUPAC2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCCCN(CCO)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-9-18(10-11-19)16(20)13-14-7-6-8-15(17)12-14/h6-8,12,19H,2-5,9-11,13,17H2,1H3
InChIKeyJZYKEBIKSKJXQR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds9

About 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide

2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide (PubChem CID 62498199) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
PubChem CID62498199
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
SMILESCCCCCCN(CCO)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-9-18(10-11-19)16(20)13-14-7-6-8-15(17)12-14/h6-8,12,19H,2-5,9-11,13,17H2,1H3
InChIKeyJZYKEBIKSKJXQR-UHFFFAOYSA-N
XLogP2.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-didecylbenzamide
CID 19389018
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
3-docosylaniline
CID 139654071
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
CID 107024746
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide (CID 62498199) is 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide is CCCCCCN(CCO)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is JZYKEBIKSKJXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-4-5-9-18(10-11-19)16(20)13-14-7-6-8-15(17)12-14/h6-8,12,19H,2-5,9-11,13,17H2,1H3.
What are the key properties of 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide?
2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 62498199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).