N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide

C17H23N3O2 — CID 51081068

IUPACN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCCO1
InChIInChI=1S/C17H23N3O2/c1-19(2)9-10-20(17(21)16-4-3-11-22-16)13-15-7-5-14(12-18)6-8-15/h5-8,16H,3-4,9-11,13H2,1-2H3
InChIKeyNPURDODEUQYRBP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide (PubChem CID 51081068) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
PubChem CID51081068
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCCO1
InChIInChI=1S/C17H23N3O2/c1-19(2)9-10-20(17(21)16-4-3-11-22-16)13-15-7-5-14(12-18)6-8-15/h5-8,16H,3-4,9-11,13H2,1-2H3
InChIKeyNPURDODEUQYRBP-UHFFFAOYSA-N
XLogP1.63
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
CID 99834856
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
4-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 55717266
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
3,5-dichloro-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 55717517
3-(4-cyanophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 25348927
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide (CID 51081068) is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide is CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCCO1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
The InChIKey is NPURDODEUQYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19(2)9-10-20(17(21)16-4-3-11-22-16)13-15-7-5-14(12-18)6-8-15/h5-8,16H,3-4,9-11,13H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide?
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 51081068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).