N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

C14H17N3O2 — CID 1439761

IUPACN-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESN#Cc1ccccc1NC(=O)CNC[C@H]1CCCO1
InChIInChI=1S/C14H17N3O2/c15-8-11-4-1-2-6-13(11)17-14(18)10-16-9-12-5-3-7-19-12/h1-2,4,6,12,16H,3,5,7,9-10H2,(H,17,18)/t12-/m1/s1
InChIKeyDFTBCGIUDVXHBG-GFCCVEGCSA-N
MW259.31 g/mol
LogP1.27
Rot. Bonds5

About N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (PubChem CID 1439761) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
PubChem CID1439761
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESN#Cc1ccccc1NC(=O)CNC[C@H]1CCCO1
InChIInChI=1S/C14H17N3O2/c15-8-11-4-1-2-6-13(11)17-14(18)10-16-9-12-5-3-7-19-12/h1-2,4,6,12,16H,3,5,7,9-10H2,(H,17,18)/t12-/m1/s1
InChIKeyDFTBCGIUDVXHBG-GFCCVEGCSA-N
XLogP1.27
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119687133
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
CID 41328158
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (CID 1439761) is N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is N#Cc1ccccc1NC(=O)CNC[C@H]1CCCO1.
What is the InChIKey of N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is DFTBCGIUDVXHBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-11-4-1-2-6-13(11)17-14(18)10-16-9-12-5-3-7-19-12/h1-2,4,6,12,16H,3,5,7,9-10H2,(H,17,18)/t12-/m1/s1.
What are the key properties of N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 1439761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).