4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide

C14H21N3O2 — CID 104923328

IUPAC4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide
SMILESCCN(C)C(=O)CNCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H21N3O2/c1-4-17(3)13(18)10-16-9-11-5-7-12(8-6-11)14(19)15-2/h5-8,16H,4,9-10H2,1-3H3,(H,15,19)
InChIKeyRUEVPQUJEQCDOC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.61
Rot. Bonds6

About 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide

4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide (PubChem CID 104923328) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide
PubChem CID104923328
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide
SMILESCCN(C)C(=O)CNCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H21N3O2/c1-4-17(3)13(18)10-16-9-11-5-7-12(8-6-11)14(19)15-2/h5-8,16H,4,9-10H2,1-3H3,(H,15,19)
InChIKeyRUEVPQUJEQCDOC-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923577
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064
2-[(3-cyano-4-fluorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 107781579
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
2-[(3,5-dimethoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923347
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 55141226
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 43214630
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide (CID 104923328) is 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide is CCN(C)C(=O)CNCc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide?
The InChIKey is RUEVPQUJEQCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-17(3)13(18)10-16-9-11-5-7-12(8-6-11)14(19)15-2/h5-8,16H,4,9-10H2,1-3H3,(H,15,19).
What are the key properties of 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide?
4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 104923328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).