4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide

C14H22N4O2 — CID 106914354

IUPAC4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
SMILESCNC(=O)c1ccc(N)cc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C14H22N4O2/c1-9(13(19)16-2)8-18(4)12-7-10(15)5-6-11(12)14(20)17-3/h5-7,9H,8,15H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyULIMWSSBKUNRLT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.45
Rot. Bonds5

About 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide

4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide (PubChem CID 106914354) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
PubChem CID106914354
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
SMILESCNC(=O)c1ccc(N)cc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C14H22N4O2/c1-9(13(19)16-2)8-18(4)12-7-10(15)5-6-11(12)14(20)17-3/h5-7,9H,8,15H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyULIMWSSBKUNRLT-UHFFFAOYSA-N
XLogP0.45
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
CID 82946067
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
CID 106914323
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
2-amino-3-fluoro-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106916094
3-[(6-amino-1H-benzimidazol-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106914294
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide
CID 107748130

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide?
The IUPAC name of 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide (CID 106914354) is 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide?
The canonical SMILES for 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide is CNC(=O)c1ccc(N)cc1N(C)CC(C)C(=O)NC.
What is the InChIKey of 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide?
The InChIKey is ULIMWSSBKUNRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(13(19)16-2)8-18(4)12-7-10(15)5-6-11(12)14(20)17-3/h5-7,9H,8,15H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide?
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide has a molecular weight of 278.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide is sourced from PubChem (CID 106914354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).