2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide

C14H23N3O2 — CID 62265584

IUPAC2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-2-3-8-17(10-14(16)19)9-13(18)11-4-6-12(15)7-5-11/h4-7,13,18H,2-3,8-10,15H2,1H3,(H2,16,19)
InChIKeyGOGZJKLVYQWMEW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.89
Rot. Bonds8

About 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide

2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide (PubChem CID 62265584) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
PubChem CID62265584
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-2-3-8-17(10-14(16)19)9-13(18)11-4-6-12(15)7-5-11/h4-7,13,18H,2-3,8-10,15H2,1H3,(H2,16,19)
InChIKeyGOGZJKLVYQWMEW-UHFFFAOYSA-N
XLogP0.89
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110898529
4-[2-(dibutylamino)-1-hydroxyethyl]benzenecarbothioamide
CID 43290538
2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
CID 111564959
4-[2-[butyl(2-hydroxyethyl)amino]-1-hydroxyethyl]benzenecarbothioamide
CID 61447928
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide
CID 103101327
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide?
The IUPAC name of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide (CID 62265584) is 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide.
What is the SMILES notation for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide?
The canonical SMILES for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide is CCCCN(CC(N)=O)CC(O)c1ccc(N)cc1.
What is the InChIKey of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide?
The InChIKey is GOGZJKLVYQWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-8-17(10-14(16)19)9-13(18)11-4-6-12(15)7-5-11/h4-7,13,18H,2-3,8-10,15H2,1H3,(H2,16,19).
What are the key properties of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide?
2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide is sourced from PubChem (CID 62265584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).