N-tert-butyl-4-methyl-2-methylidenepentanamide

C11H21NO — CID 135061980

IUPACN-tert-butyl-4-methyl-2-methylidenepentanamide
SMILESC=C(CC(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(2)7-9(3)10(13)12-11(4,5)6/h8H,3,7H2,1-2,4-6H3,(H,12,13)
InChIKeyVHDPHPKBSACXTD-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.50
Rot. Bonds3

About N-tert-butyl-4-methyl-2-methylidenepentanamide

N-tert-butyl-4-methyl-2-methylidenepentanamide (PubChem CID 135061980) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-methylidenepentanamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-methylidenepentanamide
PubChem CID135061980
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-tert-butyl-4-methyl-2-methylidenepentanamide
SMILESC=C(CC(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(2)7-9(3)10(13)12-11(4,5)6/h8H,3,7H2,1-2,4-6H3,(H,12,13)
InChIKeyVHDPHPKBSACXTD-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-4-methyl-2-methylidenepentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
CID 90878864
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-methylidenepentanamide
CID 136588740
2,6-dimethyl-4-methylideneheptan-3-one
CID 168819259
5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide
CID 177050353
N-[4-(tert-butylcarbamoyl)-2-methylpent-4-en-2-yl]-N',N'-dimethyloxamide
CID 138602873
2-(tert-butylamino)-2-oxoacetic acid
CID 5187990
N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 60967814
2,8-dimethyl-4-methylidenenonan-5-one
CID 121008739
N-tert-butyl-3-cyano-2-methylidenepentanamide
CID 140554454
1-hydroxyethyl 4-methyl-2-methylidenepentanoate
CID 175422491
N-(3-cyanopentan-3-yl)-3-methylbutanamide
CID 61121009
4-(tert-butylamino)-4-oxo-2-sulfanylbutanoic acid
CID 129098634

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-methylidenepentanamide?
The IUPAC name of N-tert-butyl-4-methyl-2-methylidenepentanamide (CID 135061980) is N-tert-butyl-4-methyl-2-methylidenepentanamide.
What is the SMILES notation for N-tert-butyl-4-methyl-2-methylidenepentanamide?
The canonical SMILES for N-tert-butyl-4-methyl-2-methylidenepentanamide is C=C(CC(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-methylidenepentanamide?
The InChIKey is VHDPHPKBSACXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)7-9(3)10(13)12-11(4,5)6/h8H,3,7H2,1-2,4-6H3,(H,12,13).
What are the key properties of N-tert-butyl-4-methyl-2-methylidenepentanamide?
N-tert-butyl-4-methyl-2-methylidenepentanamide has a molecular weight of 183.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-methylidenepentanamide is sourced from PubChem (CID 135061980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).