2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide

C17H32N2O2 — CID 91455073

IUPAC2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)CC.C=CCNC(=O)C(C)CC
InChIInChI=1S/C9H17NO.C8H15NO/c1-5-7-10-8(11)9(3,4)6-2;1-4-6-9-8(10)7(3)5-2/h5H,1,6-7H2,2-4H3,(H,10,11);4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyYBWMQPWMBJRMLK-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.06
Rot. Bonds8

About 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide

2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide (PubChem CID 91455073) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide
PubChem CID91455073
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)(C)CC.C=CCNC(=O)C(C)CC
InChIInChI=1S/C9H17NO.C8H15NO/c1-5-7-10-8(11)9(3,4)6-2;1-4-6-9-8(10)7(3)5-2/h5H,1,6-7H2,2-4H3,(H,10,11);4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyYBWMQPWMBJRMLK-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide (CID 91455073) is 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide is C=CCNC(=O)C(C)(C)CC.C=CCNC(=O)C(C)CC.
What is the InChIKey of 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide?
The InChIKey is YBWMQPWMBJRMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H15NO/c1-5-7-10-8(11)9(3,4)6-2;1-4-6-9-8(10)7(3)5-2/h5H,1,6-7H2,2-4H3,(H,10,11);4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide?
2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide has a molecular weight of 296.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-prop-2-enylbutanamide;2-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 91455073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).