3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide

C17H34N2O2 — CID 171092778

IUPAC3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide
SMILESCC(C=O)CC(N)CC(=O)N(CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-13(12-20)10-14(18)11-15(21)19(17(5,6)7)9-8-16(2,3)4/h12-14H,8-11,18H2,1-7H3
InChIKeyCBRKRXHYIOIGKP-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.99
Rot. Bonds7

About 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide

3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide (PubChem CID 171092778) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide
PubChem CID171092778
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide
SMILESCC(C=O)CC(N)CC(=O)N(CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-13(12-20)10-14(18)11-15(21)19(17(5,6)7)9-8-16(2,3)4/h12-14H,8-11,18H2,1-7H3
InChIKeyCBRKRXHYIOIGKP-UHFFFAOYSA-N
XLogP2.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide?
The IUPAC name of 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide (CID 171092778) is 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide.
What is the SMILES notation for 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide?
The canonical SMILES for 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide is CC(C=O)CC(N)CC(=O)N(CCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide?
The InChIKey is CBRKRXHYIOIGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(12-20)10-14(18)11-15(21)19(17(5,6)7)9-8-16(2,3)4/h12-14H,8-11,18H2,1-7H3.
What are the key properties of 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide?
3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide has a molecular weight of 298.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide is sourced from PubChem (CID 171092778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).