2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide

C11H18N2O2 — CID 103742628

IUPAC2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC(C#N)C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-9(7-12)10(14)13-8-11(2)3-5-15-6-4-11/h9H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyKCHWJSKDMYQWHF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.08
Rot. Bonds3

About 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide

2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide (PubChem CID 103742628) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
PubChem CID103742628
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC(C#N)C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C11H18N2O2/c1-9(7-12)10(14)13-8-11(2)3-5-15-6-4-11/h9H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyKCHWJSKDMYQWHF-UHFFFAOYSA-N
XLogP1.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
CID 103885066
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
2-cyano-N-ethylpropanamide
CID 23199183
(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
CID 103742481
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 103737357

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide?
The IUPAC name of 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide (CID 103742628) is 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide is CC(C#N)C(=O)NCC1(C)CCOCC1.
What is the InChIKey of 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide?
The InChIKey is KCHWJSKDMYQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(7-12)10(14)13-8-11(2)3-5-15-6-4-11/h9H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide?
2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 103742628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).