1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone

C14H20INO — CID 43796160

IUPAC1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H20INO/c1-4-11(2)9-16(3)10-14(17)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGRHMCEIKCPRCLC-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.45
Rot. Bonds6

About 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone

1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone (PubChem CID 43796160) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
PubChem CID43796160
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H20INO/c1-4-11(2)9-16(3)10-14(17)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGRHMCEIKCPRCLC-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62034848
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
CID 79477665
2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43796188
2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 43796685
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036311
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
2-butan-2-ylsulfanyl-1-(4-iodophenyl)ethanone
CID 43218779
2-methylbutyl 4-iodobenzoate
CID 71343005
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 60679964

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone (CID 43796160) is 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone is CCC(C)CN(C)CC(=O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The InChIKey is GRHMCEIKCPRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-4-11(2)9-16(3)10-14(17)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone has a molecular weight of 345.22 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone is sourced from PubChem (CID 43796160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).