N-butyl-2,2-dimethylbutanamide

C10H21NO — CID 3523338

IUPACN-butyl-2,2-dimethylbutanamide
SMILESCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C10H21NO/c1-5-7-8-11-9(12)10(3,4)6-2/h5-8H2,1-4H3,(H,11,12)
InChIKeyVZLDLKNBRVHFEW-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds5

About N-butyl-2,2-dimethylbutanamide

N-butyl-2,2-dimethylbutanamide (PubChem CID 3523338) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butyl-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethylbutanamide
PubChem CID3523338
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butyl-2,2-dimethylbutanamide
SMILESCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C10H21NO/c1-5-7-8-11-9(12)10(3,4)6-2/h5-8H2,1-4H3,(H,11,12)
InChIKeyVZLDLKNBRVHFEW-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
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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Related Compounds

N-butylbutanamide
CID 347960
Butanamide, N-(2-methylpropyl)-
CID 346250
N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
n-Butyl-2-methylpropanamide
CID 221968
N-butan-2-yl-3-methylbutanamide
CID 234387
3,3-Dimethylpyrrolidin-2-one
CID 5114908
4,4-Dimethyl-2-pyrrolidinone
CID 637593
N,3,3-trimethylbutanamide
CID 2795132
Butanamide, N-propyl-
CID 231083
N-Ethylbutanamide
CID 518695
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633
N-[4-(butanoylamino)butyl]butanamide
CID 2166864

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethylbutanamide?
The IUPAC name of N-butyl-2,2-dimethylbutanamide (CID 3523338) is N-butyl-2,2-dimethylbutanamide.
What is the SMILES notation for N-butyl-2,2-dimethylbutanamide?
The canonical SMILES for N-butyl-2,2-dimethylbutanamide is CCCCNC(=O)C(C)(C)CC.
What is the InChIKey of N-butyl-2,2-dimethylbutanamide?
The InChIKey is VZLDLKNBRVHFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-8-11-9(12)10(3,4)6-2/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-butyl-2,2-dimethylbutanamide?
N-butyl-2,2-dimethylbutanamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethylbutanamide is sourced from PubChem (CID 3523338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).