N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide

C14H20N2O2 — CID 110696648

IUPACN-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CC2CCCO2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)12-7-5-11(6-8-12)15-14(17)10-13-4-3-9-18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyFHIVGNQYTOZPTN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 110696648) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID110696648
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CC2CCCO2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)12-7-5-11(6-8-12)15-14(17)10-13-4-3-9-18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyFHIVGNQYTOZPTN-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113117399
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960126
1-[4-(dimethylamino)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 841681
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide (CID 110696648) is N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide is CN(C)c1ccc(NC(=O)CC2CCCO2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is FHIVGNQYTOZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)12-7-5-11(6-8-12)15-14(17)10-13-4-3-9-18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 110696648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).