N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide

C15H24N2O3 — CID 78909705

IUPACN-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
SMILESCCOC(CNC(=O)c1cccc(N(C)C)c1)OCC
InChIInChI=1S/C15H24N2O3/c1-5-19-14(20-6-2)11-16-15(18)12-8-7-9-13(10-12)17(3)4/h7-10,14H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyVDKPMOMZYSNIOV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.88
Rot. Bonds8

About N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide

N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide (PubChem CID 78909705) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
PubChem CID78909705
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
SMILESCCOC(CNC(=O)c1cccc(N(C)C)c1)OCC
InChIInChI=1S/C15H24N2O3/c1-5-19-14(20-6-2)11-16-15(18)12-8-7-9-13(10-12)17(3)4/h7-10,14H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyVDKPMOMZYSNIOV-UHFFFAOYSA-N
XLogP1.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide
CID 71989278

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide (CID 78909705) is N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide is CCOC(CNC(=O)c1cccc(N(C)C)c1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide?
The InChIKey is VDKPMOMZYSNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-19-14(20-6-2)11-16-15(18)12-8-7-9-13(10-12)17(3)4/h7-10,14H,5-6,11H2,1-4H3,(H,16,18).
What are the key properties of N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide?
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide has a molecular weight of 280.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 78909705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).