N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide

C13H26N2O — CID 139303031

IUPACN-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide
SMILESC=C(NC(=O)CNCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(13(5,6)7)15-11(16)8-14-9-12(2,3)4/h14H,1,8-9H2,2-7H3,(H,15,16)
InChIKeyIFQSQAOUOVESNK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.30
Rot. Bonds4

About N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide

N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide (PubChem CID 139303031) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide
PubChem CID139303031
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide
SMILESC=C(NC(=O)CNCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(13(5,6)7)15-11(16)8-14-9-12(2,3)4/h14H,1,8-9H2,2-7H3,(H,15,16)
InChIKeyIFQSQAOUOVESNK-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide (CID 139303031) is N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide is C=C(NC(=O)CNCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide?
The InChIKey is IFQSQAOUOVESNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(13(5,6)7)15-11(16)8-14-9-12(2,3)4/h14H,1,8-9H2,2-7H3,(H,15,16).
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide?
N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-2-(2,2-dimethylpropylamino)acetamide is sourced from PubChem (CID 139303031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).