N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide

C17H19N3O3 — CID 38381278

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C17H19N3O3/c1-20(2)14-5-3-4-12(10-14)17(22)19-13-6-8-15(9-7-13)23-11-16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyXIBUJBIKNHPELQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.87
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide (PubChem CID 38381278) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
PubChem CID38381278
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C17H19N3O3/c1-20(2)14-5-3-4-12(10-14)17(22)19-13-6-8-15(9-7-13)23-11-16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyXIBUJBIKNHPELQ-UHFFFAOYSA-N
XLogP1.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(dimethylamino)benzamide
CID 38381282
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7569925
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide (CID 38381278) is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide?
The InChIKey is XIBUJBIKNHPELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20(2)14-5-3-4-12(10-14)17(22)19-13-6-8-15(9-7-13)23-11-16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 38381278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).