N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

C16H20N2O3 — CID 86868338

IUPACN-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)COCC1CCCO1
InChIInChI=1S/C16H20N2O3/c1-18(10-14-5-2-4-13(8-14)9-17)16(19)12-20-11-15-6-3-7-21-15/h2,4-5,8,15H,3,6-7,10-12H2,1H3
InChIKeyQETHJTRUNAKFGH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.71
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 86868338) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID86868338
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)COCC1CCCO1
InChIInChI=1S/C16H20N2O3/c1-18(10-14-5-2-4-13(8-14)9-17)16(19)12-20-11-15-6-3-7-21-15/h2,4-5,8,15H,3,6-7,10-12H2,1H3
InChIKeyQETHJTRUNAKFGH-UHFFFAOYSA-N
XLogP1.71
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124853248
(2R,3S)-N-[(3-cyanophenyl)methyl]-2-ethyl-N-methyloxane-3-carboxamide
CID 129492759
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91840455
N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 43289554
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
N-[(3-cyanophenyl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55580815
N-[(3-cyanophenyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104519281
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 47024081
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (CID 86868338) is N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is CN(Cc1cccc(C#N)c1)C(=O)COCC1CCCO1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is QETHJTRUNAKFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(10-14-5-2-4-13(8-14)9-17)16(19)12-20-11-15-6-3-7-21-15/h2,4-5,8,15H,3,6-7,10-12H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 86868338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).