N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide

C15H29N3O — CID 47025434

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
SMILESCC(N(C)CC(=O)NC(C)(C#N)C(C)C)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-11(2)15(7,10-16)17-13(19)9-18(8)12(3)14(4,5)6/h11-12H,9H2,1-8H3,(H,17,19)
InChIKeyJMSRYBDPVXSGFC-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.41
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide (PubChem CID 47025434) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
PubChem CID47025434
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
SMILESCC(N(C)CC(=O)NC(C)(C#N)C(C)C)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-11(2)15(7,10-16)17-13(19)9-18(8)12(3)14(4,5)6/h11-12H,9H2,1-8H3,(H,17,19)
InChIKeyJMSRYBDPVXSGFC-UHFFFAOYSA-N
XLogP2.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide (CID 47025434) is N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide is CC(N(C)CC(=O)NC(C)(C#N)C(C)C)C(C)(C)C.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The InChIKey is JMSRYBDPVXSGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)15(7,10-16)17-13(19)9-18(8)12(3)14(4,5)6/h11-12H,9H2,1-8H3,(H,17,19).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide has a molecular weight of 267.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 47025434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).