N-butyl-2-tert-butyl-3,3-dimethylbutanamide

C14H29NO — CID 10751789

IUPACN-butyl-2-tert-butyl-3,3-dimethylbutanamide
SMILESCCCCNC(=O)C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-10-15-12(16)11(13(2,3)4)14(5,6)7/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyURNZIUYECFKABR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.61
Rot. Bonds4

About N-butyl-2-tert-butyl-3,3-dimethylbutanamide

N-butyl-2-tert-butyl-3,3-dimethylbutanamide (PubChem CID 10751789) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-butyl-2-tert-butyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-2-tert-butyl-3,3-dimethylbutanamide
PubChem CID10751789
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-butyl-2-tert-butyl-3,3-dimethylbutanamide
SMILESCCCCNC(=O)C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-10-15-12(16)11(13(2,3)4)14(5,6)7/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyURNZIUYECFKABR-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-tert-butyl-3,3-dimethylbutanamide?
The IUPAC name of N-butyl-2-tert-butyl-3,3-dimethylbutanamide (CID 10751789) is N-butyl-2-tert-butyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-2-tert-butyl-3,3-dimethylbutanamide?
The canonical SMILES for N-butyl-2-tert-butyl-3,3-dimethylbutanamide is CCCCNC(=O)C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-butyl-2-tert-butyl-3,3-dimethylbutanamide?
The InChIKey is URNZIUYECFKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-9-10-15-12(16)11(13(2,3)4)14(5,6)7/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of N-butyl-2-tert-butyl-3,3-dimethylbutanamide?
N-butyl-2-tert-butyl-3,3-dimethylbutanamide has a molecular weight of 227.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-tert-butyl-3,3-dimethylbutanamide is sourced from PubChem (CID 10751789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).