N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide

C10H18N2O2 — CID 142005655

IUPACN',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide
SMILESC=C(C)CC(C(=O)NC)C(C)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-6(2)5-8(10(14)12-4)7(3)9(11)13/h7-8H,1,5H2,2-4H3,(H2,11,13)(H,12,14)
InChIKeyOMDGXRXOWCGEGZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.44
Rot. Bonds5

About N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide

N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide (PubChem CID 142005655) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide.

Molecular Properties

Compound NameN',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide
PubChem CID142005655
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide
SMILESC=C(C)CC(C(=O)NC)C(C)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-6(2)5-8(10(14)12-4)7(3)9(11)13/h7-8H,1,5H2,2-4H3,(H2,11,13)(H,12,14)
InChIKeyOMDGXRXOWCGEGZ-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
CID 154531690
N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide
CID 138715999
2-(dimethylamino)-4-methylpent-4-enamide
CID 13149597
1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
CID 142099887
N',2-dimethylpropanediamide
CID 19785845
N,4-dimethyl-2-prop-2-enylpent-4-enamide
CID 89102883
(2S)-N'-ethyl-3-(2-methylprop-2-enyl)-2-prop-2-enylbutanediamide
CID 89200891
2,3,6-trimethyl-4-prop-1-en-2-ylhepta-1,6-diene
CID 91102055
2,3-dimethylbutanediamide
CID 55281411
N'-methyl-2,3-bis(2-phenylpropyl)butanediamide
CID 21050041
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
CID 22972626
2-(2,4-dimethylpent-4-enoylamino)-3-methylbutanoic acid
CID 120684429

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide?
The IUPAC name of N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide (CID 142005655) is N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide.
What is the SMILES notation for N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide?
The canonical SMILES for N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide is C=C(C)CC(C(=O)NC)C(C)C(N)=O.
What is the InChIKey of N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide?
The InChIKey is OMDGXRXOWCGEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)5-8(10(14)12-4)7(3)9(11)13/h7-8H,1,5H2,2-4H3,(H2,11,13)(H,12,14).
What are the key properties of N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide?
N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide has a molecular weight of 198.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide is sourced from PubChem (CID 142005655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).