N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide

C12H21N3O2 — CID 56823339

IUPACN-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCC(C#N)NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-5-9(8-13)15-10(16)6-7-14-11(17)12(2,3)4/h9H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyUTGGYDWOHSXMOD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.96
Rot. Bonds5

About N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 56823339) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID56823339
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCC(C#N)NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-5-9(8-13)15-10(16)6-7-14-11(17)12(2,3)4/h9H,5-7H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyUTGGYDWOHSXMOD-UHFFFAOYSA-N
XLogP0.96
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 56823339) is N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide is CCC(C#N)NC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is UTGGYDWOHSXMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-9(8-13)15-10(16)6-7-14-11(17)12(2,3)4/h9H,5-7H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56823339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).