2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide

C17H28N2O — CID 60686094

IUPAC2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)13(3)19-16(20)11-18-15-10-8-7-9-14(15)17(4,5)6/h7-10,12-13,18H,11H2,1-6H3,(H,19,20)
InChIKeyZQSFLAYZPSZRIH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.56
Rot. Bonds5

About 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide

2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60686094) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID60686094
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)13(3)19-16(20)11-18-15-10-8-7-9-14(15)17(4,5)6/h7-10,12-13,18H,11H2,1-6H3,(H,19,20)
InChIKeyZQSFLAYZPSZRIH-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide (CID 60686094) is 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ZQSFLAYZPSZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)13(3)19-16(20)11-18-15-10-8-7-9-14(15)17(4,5)6/h7-10,12-13,18H,11H2,1-6H3,(H,19,20).
What are the key properties of 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 276.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60686094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).