N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide

C15H23IN2O — CID 54938089

IUPACN-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide
SMILESCC(C)CC(CNC(=O)c1ccccc1I)N(C)C
InChIInChI=1S/C15H23IN2O/c1-11(2)9-12(18(3)4)10-17-15(19)13-7-5-6-8-14(13)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyLTDBYNJQKXUSIJ-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide

N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide (PubChem CID 54938089) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide
PubChem CID54938089
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC NameN-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide
SMILESCC(C)CC(CNC(=O)c1ccccc1I)N(C)C
InChIInChI=1S/C15H23IN2O/c1-11(2)9-12(18(3)4)10-17-15(19)13-7-5-6-8-14(13)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyLTDBYNJQKXUSIJ-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
CID 103854605
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 113255712
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
CID 114300843
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307491
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
CID 81065530
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide?
The IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide (CID 54938089) is N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide is CC(C)CC(CNC(=O)c1ccccc1I)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide?
The InChIKey is LTDBYNJQKXUSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-11(2)9-12(18(3)4)10-17-15(19)13-7-5-6-8-14(13)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide?
N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide has a molecular weight of 374.27 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide is sourced from PubChem (CID 54938089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).