N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide

C15H27N3O — CID 34442964

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide
SMILESC[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11(14(2,3)4)18(6)9-13(19)17-15(5,10-16)12-7-8-12/h11-12H,7-9H2,1-6H3,(H,17,19)/t11-,15+/m1/s1
InChIKeyUQVINFGPICAHAN-ABAIWWIYSA-N
MW265.40 g/mol
LogP2.16
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide (PubChem CID 34442964) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide
PubChem CID34442964
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide
SMILESC[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11(14(2,3)4)18(6)9-13(19)17-15(5,10-16)12-7-8-12/h11-12H,7-9H2,1-6H3,(H,17,19)/t11-,15+/m1/s1
InChIKeyUQVINFGPICAHAN-ABAIWWIYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide (CID 34442964) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide is C[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide?
The InChIKey is UQVINFGPICAHAN-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(14(2,3)4)18(6)9-13(19)17-15(5,10-16)12-7-8-12/h11-12H,7-9H2,1-6H3,(H,17,19)/t11-,15+/m1/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 34442964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).