4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide

C14H22N4O2 — CID 63360563

IUPAC4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)CN(C)c1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H22N4O2/c1-16(2)13(19)9-18(5)12-8-10(6-7-11(12)15)14(20)17(3)4/h6-8H,9,15H2,1-5H3
InChIKeyDOFKUDDZECKVMC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.50
Rot. Bonds4

About 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide

4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide (PubChem CID 63360563) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
PubChem CID63360563
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)CN(C)c1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H22N4O2/c1-16(2)13(19)9-18(5)12-8-10(6-7-11(12)15)14(20)17(3)4/h6-8H,9,15H2,1-5H3
InChIKeyDOFKUDDZECKVMC-UHFFFAOYSA-N
XLogP0.50
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide
CID 63361146
4-amino-N,N-dimethyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzamide
CID 63841906
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-3-fluorobenzoic acid
CID 43375097
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
CID 63360545
4-amino-3-(dimethylamino)benzoic acid
CID 82785522
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 81132413
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
CID 61296548

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide (CID 63360563) is 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)CN(C)c1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide?
The InChIKey is DOFKUDDZECKVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16(2)13(19)9-18(5)12-8-10(6-7-11(12)15)14(20)17(3)4/h6-8H,9,15H2,1-5H3.
What are the key properties of 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide?
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide has a molecular weight of 278.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63360563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).