N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide

C15H20N2O2 — CID 55037243

IUPACN-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide
SMILESCCC(C#N)(CC)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-15(5-2,11-16)17-14(18)13(19-3)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3,(H,17,18)
InChIKeyGNFRRGMURBEUDO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.57
Rot. Bonds6

About N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide

N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide (PubChem CID 55037243) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide
PubChem CID55037243
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide
SMILESCCC(C#N)(CC)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-15(5-2,11-16)17-14(18)13(19-3)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3,(H,17,18)
InChIKeyGNFRRGMURBEUDO-UHFFFAOYSA-N
XLogP2.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
CID 62521933
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
CID 62653112
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide
CID 124616555
N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357
2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 62099240
N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide
CID 113241228
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide (CID 55037243) is N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide is CCC(C#N)(CC)NC(=O)C(OC)c1ccccc1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is GNFRRGMURBEUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-15(5-2,11-16)17-14(18)13(19-3)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide?
N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 260.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 55037243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).