3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide

C12H18IN3O — CID 106914273

IUPAC3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(N)cc1I
InChIInChI=1S/C12H18IN3O/c1-8(12(17)15-2)7-16(3)11-5-4-9(14)6-10(11)13/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyHHNMLMBYXBDNLM-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.69
Rot. Bonds4

About 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide

3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide (PubChem CID 106914273) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
PubChem CID106914273
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ccc(N)cc1I
InChIInChI=1S/C12H18IN3O/c1-8(12(17)15-2)7-16(3)11-5-4-9(14)6-10(11)13/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyHHNMLMBYXBDNLM-UHFFFAOYSA-N
XLogP1.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
CID 106914323
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
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
3-[2-chloro-4-(hydroxymethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916419
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide?
The IUPAC name of 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide (CID 106914273) is 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ccc(N)cc1I.
What is the InChIKey of 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide?
The InChIKey is HHNMLMBYXBDNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-8(12(17)15-2)7-16(3)11-5-4-9(14)6-10(11)13/h4-6,8H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide?
3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide has a molecular weight of 347.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide is sourced from PubChem (CID 106914273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).