2-cyano-N-(1-methoxypropan-2-yl)acetamide

C7H12N2O2 — CID 3371821

IUPAC2-cyano-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CC#N
InChIInChI=1S/C7H12N2O2/c1-6(5-11-2)9-7(10)3-4-8/h6H,3,5H2,1-2H3,(H,9,10)
InChIKeyZBWKHRRVPJVXHC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.05
Rot. Bonds4

About 2-cyano-N-(1-methoxypropan-2-yl)acetamide

2-cyano-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 3371821) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-cyano-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-methoxypropan-2-yl)acetamide
PubChem CID3371821
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-cyano-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CC#N
InChIInChI=1S/C7H12N2O2/c1-6(5-11-2)9-7(10)3-4-8/h6H,3,5H2,1-2H3,(H,9,10)
InChIKeyZBWKHRRVPJVXHC-UHFFFAOYSA-N
XLogP0.05
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(2R)-hexan-2-yl]acetamide
CID 94372249
2-cyano-N-(1-methylsulfonylpropan-2-yl)acetamide
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2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 60710986
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 107789246
N-but-3-yn-2-yl-2-cyanoacetamide
CID 114417353
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330
5-hydroxy-N-(1-methoxypropan-2-yl)pentanamide
CID 79199618
3-(1-methoxypropan-2-ylamino)butanenitrile
CID 60914477
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
tert-butyl N-[4-[(2-cyanoacetyl)amino]pentyl]carbamate
CID 126816987

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(1-methoxypropan-2-yl)acetamide (CID 3371821) is 2-cyano-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is ZBWKHRRVPJVXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(5-11-2)9-7(10)3-4-8/h6H,3,5H2,1-2H3,(H,9,10).
What are the key properties of 2-cyano-N-(1-methoxypropan-2-yl)acetamide?
2-cyano-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 156.18 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 3371821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).