N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide

C12H14N2O2 — CID 60606606

IUPACN-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
SMILESCOC(C(=O)N(C)CC#N)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-14(9-8-13)12(15)11(16-2)10-6-4-3-5-7-10/h3-7,11H,9H2,1-2H3
InChIKeyHECZTBBESDMMFE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.36
Rot. Bonds4

About N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide

N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide (PubChem CID 60606606) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
PubChem CID60606606
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
SMILESCOC(C(=O)N(C)CC#N)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-14(9-8-13)12(15)11(16-2)10-6-4-3-5-7-10/h3-7,11H,9H2,1-2H3
InChIKeyHECZTBBESDMMFE-UHFFFAOYSA-N
XLogP1.36
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide
CID 94352405
N-(cyanomethyl)-N-methyl-2-phenylsulfanylacetamide
CID 78915937
2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511674
2-methoxy-N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607603
CID 59883683
CID 59883683
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
1-(cyanomethyl)-1,3-dimethyl-3-phenylurea
CID 102316457

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide (CID 60606606) is N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide is COC(C(=O)N(C)CC#N)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide?
The InChIKey is HECZTBBESDMMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14(9-8-13)12(15)11(16-2)10-6-4-3-5-7-10/h3-7,11H,9H2,1-2H3.
What are the key properties of N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide?
N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 60606606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).