5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

C14H22N4O2 — CID 61114708

IUPAC5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H22N4O2/c1-5-16-13(19)9-18(4)14(20)11-8-10(15)6-7-12(11)17(2)3/h6-8H,5,9,15H2,1-4H3,(H,16,19)
InChIKeyUQNQJMUXKNPNKX-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.54
Rot. Bonds5

About 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 61114708) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID61114708
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H22N4O2/c1-5-16-13(19)9-18(4)14(20)11-8-10(15)6-7-12(11)17(2)3/h6-8H,5,9,15H2,1-4H3,(H,16,19)
InChIKeyUQNQJMUXKNPNKX-UHFFFAOYSA-N
XLogP0.54
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
CID 61095752
3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 107120734
5-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(dimethylamino)-N-methylbenzamide
CID 61109086
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-5-sulfanylbenzamide
CID 107025947

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (CID 61114708) is 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is UQNQJMUXKNPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-16-13(19)9-18(4)14(20)11-8-10(15)6-7-12(11)17(2)3/h6-8H,5,9,15H2,1-4H3,(H,16,19).
What are the key properties of 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 278.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 61114708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).