N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide

C11H17N3O2 — CID 103028992

IUPACN,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H17N3O2/c1-11(2,16-3)10(15)14(8-4-6-12)9-5-7-13/h4-5,8-9H2,1-3H3
InChIKeyHOWHMSIXMCGJGM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.07
Rot. Bonds6

About N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide

N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide (PubChem CID 103028992) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide
PubChem CID103028992
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H17N3O2/c1-11(2,16-3)10(15)14(8-4-6-12)9-5-7-13/h4-5,8-9H2,1-3H3
InChIKeyHOWHMSIXMCGJGM-UHFFFAOYSA-N
XLogP1.07
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
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CID 11305814
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CID 63285915
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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide (CID 103028992) is N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide?
The InChIKey is HOWHMSIXMCGJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,16-3)10(15)14(8-4-6-12)9-5-7-13/h4-5,8-9H2,1-3H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide?
N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).