2-methyl-N-(2-methylprop-2-enyl)butanamide

C9H17NO — CID 114618817

IUPAC2-methyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)C(C)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h8H,2,5-6H2,1,3-4H3,(H,10,11)
InChIKeyCWESKXZZPZLNRN-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-N-(2-methylprop-2-enyl)butanamide

2-methyl-N-(2-methylprop-2-enyl)butanamide (PubChem CID 114618817) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)butanamide
PubChem CID114618817
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)C(C)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h8H,2,5-6H2,1,3-4H3,(H,10,11)
InChIKeyCWESKXZZPZLNRN-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-cyclopropyl-N-(2-methylprop-2-enyl)propanamide
CID 114619048
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
5-(2-methylbutanoylamino)-4-oxopentanoic acid
CID 59623900
[(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate
CID 97025290
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)butanamide (CID 114618817) is 2-methyl-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is CWESKXZZPZLNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)9(11)10-6-7(2)3/h8H,2,5-6H2,1,3-4H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)butanamide?
2-methyl-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 114618817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).