2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide

C14H19IN2O2 — CID 62036311

IUPAC2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1ccc(I)cc1)CC(=O)N(C)C
InChIInChI=1S/C14H19IN2O2/c1-4-17(10-14(19)16(2)3)9-13(18)11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyTVWOGTNXNLEFME-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.88
Rot. Bonds6

About 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide

2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide (PubChem CID 62036311) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
PubChem CID62036311
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1ccc(I)cc1)CC(=O)N(C)C
InChIInChI=1S/C14H19IN2O2/c1-4-17(10-14(19)16(2)3)9-13(18)11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyTVWOGTNXNLEFME-UHFFFAOYSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 60679964
2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62037280
N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62034848
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030928
2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036895
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031315
N,N-diethylethanamine;4-iodobenzoic acid
CID 71324124
1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796160
2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide
CID 62035350
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide (CID 62036311) is 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)c1ccc(I)cc1)CC(=O)N(C)C.
What is the InChIKey of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The InChIKey is TVWOGTNXNLEFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-4-17(10-14(19)16(2)3)9-13(18)11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide has a molecular weight of 374.22 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 62036311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).