5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide

C16H26N2O — CID 112517031

IUPAC5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(8-7-11-17)15(19)18-14-10-6-5-9-13(14)16(2,3)4/h5-6,9-10,12H,7-8,11,17H2,1-4H3,(H,18,19)
InChIKeyBXPIGXRBTVVEGD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.30
Rot. Bonds5

About 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide

5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide (PubChem CID 112517031) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
PubChem CID112517031
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(8-7-11-17)15(19)18-14-10-6-5-9-13(14)16(2,3)4/h5-6,9-10,12H,7-8,11,17H2,1-4H3,(H,18,19)
InChIKeyBXPIGXRBTVVEGD-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide (CID 112517031) is 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide?
The InChIKey is BXPIGXRBTVVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(8-7-11-17)15(19)18-14-10-6-5-9-13(14)16(2,3)4/h5-6,9-10,12H,7-8,11,17H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide?
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide is sourced from PubChem (CID 112517031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).