6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid

C15H20INO3 — CID 65284317

IUPAC6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1ccc(I)cc1)CCC(=O)O
InChIInChI=1S/C15H20INO3/c1-15(2,8-7-13(18)19)9-10-17-14(20)11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBLQOMHXFJQNBQM-UHFFFAOYSA-N
MW389.23 g/mol
LogP3.30
Rot. Bonds7

About 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid

6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65284317) has the molecular formula C15H20INO3 and a molecular weight of 389.23 g/mol. Its IUPAC name is 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65284317
Molecular FormulaC15H20INO3
Molecular Weight389.23 g/mol
Exact Mass389.05
IUPAC Name6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1ccc(I)cc1)CCC(=O)O
InChIInChI=1S/C15H20INO3/c1-15(2,8-7-13(18)19)9-10-17-14(20)11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyBLQOMHXFJQNBQM-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid
CID 65284027
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
3-[(4-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368177
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471
4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 65284491
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
6-[(3-chloro-2-fluorobenzoyl)amino]-4,4-dimethylhexanoic acid
CID 81266022
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270

Frequently Asked Questions

What is the IUPAC name of 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid (CID 65284317) is 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)c1ccc(I)cc1)CCC(=O)O.
What is the InChIKey of 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is BLQOMHXFJQNBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO3/c1-15(2,8-7-13(18)19)9-10-17-14(20)11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid?
6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 389.23 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).