N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide

C15H23IN2O2 — CID 107731679

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H23IN2O2/c1-10(2)7-12(9-18(3)4)17-15(20)13-8-11(16)5-6-14(13)19/h5-6,8,10,12,19H,7,9H2,1-4H3,(H,17,20)
InChIKeyWAFRXKABLMTJMO-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.70
Rot. Bonds6

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide (PubChem CID 107731679) has the molecular formula C15H23IN2O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide
PubChem CID107731679
Molecular FormulaC15H23IN2O2
Molecular Weight390.27 g/mol
Exact Mass390.08
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H23IN2O2/c1-10(2)7-12(9-18(3)4)17-15(20)13-8-11(16)5-6-14(13)19/h5-6,8,10,12,19H,7,9H2,1-4H3,(H,17,20)
InChIKeyWAFRXKABLMTJMO-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334
N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
CID 119586604
2-hydroxy-5-iodo-N-methyl-N-(3-methylbutyl)benzamide
CID 103612713
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872326

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide (CID 107731679) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide is CC(C)CC(CN(C)C)NC(=O)c1cc(I)ccc1O.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide?
The InChIKey is WAFRXKABLMTJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O2/c1-10(2)7-12(9-18(3)4)17-15(20)13-8-11(16)5-6-14(13)19/h5-6,8,10,12,19H,7,9H2,1-4H3,(H,17,20).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide has a molecular weight of 390.27 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).