2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide

C18H30N2O2 — CID 54813824

IUPAC2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-5-6-7-8-12-22-16-11-9-10-15(13-16)20-17(21)14-19-18(2,3)4/h9-11,13,19H,5-8,12,14H2,1-4H3,(H,20,21)
InChIKeyOVURYIZQSKKNCS-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.97
Rot. Bonds9

About 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide

2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide (PubChem CID 54813824) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
PubChem CID54813824
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-5-6-7-8-12-22-16-11-9-10-15(13-16)20-17(21)14-19-18(2,3)4/h9-11,13,19H,5-8,12,14H2,1-4H3,(H,20,21)
InChIKeyOVURYIZQSKKNCS-UHFFFAOYSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-tert-butyl-2-(3-heptoxyanilino)acetamide
CID 54829073

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide (CID 54813824) is 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide is CCCCCCOc1cccc(NC(=O)CNC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide?
The InChIKey is OVURYIZQSKKNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-6-7-8-12-22-16-11-9-10-15(13-16)20-17(21)14-19-18(2,3)4/h9-11,13,19H,5-8,12,14H2,1-4H3,(H,20,21).
What are the key properties of 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide?
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide has a molecular weight of 306.45 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide is sourced from PubChem (CID 54813824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).