N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide

C14H20INO3 — CID 67216621

IUPACN,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(I)c(OCCOC)c1
InChIInChI=1S/C14H20INO3/c1-4-16(5-2)14(17)11-6-7-12(15)13(10-11)19-9-8-18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZQMRISRHDJYPCS-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.80
Rot. Bonds7

About N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide

N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide (PubChem CID 67216621) has the molecular formula C14H20INO3 and a molecular weight of 377.22 g/mol. Its IUPAC name is N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
PubChem CID67216621
Molecular FormulaC14H20INO3
Molecular Weight377.22 g/mol
Exact Mass377.05
IUPAC NameN,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(I)c(OCCOC)c1
InChIInChI=1S/C14H20INO3/c1-4-16(5-2)14(17)11-6-7-12(15)13(10-11)19-9-8-18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZQMRISRHDJYPCS-UHFFFAOYSA-N
XLogP2.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-iodo-3-(methoxymethoxy)benzamide
CID 22831856
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
4-iodo-3-propoxybenzoic acid
CID 68960644
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
N,N-diethyl-3-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17194936
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
3-(2,2-difluoroethoxy)-4-iodo-N-(2-methoxyethyl)benzamide
CID 146034948
4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide?
The IUPAC name of N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide (CID 67216621) is N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide?
The canonical SMILES for N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide is CCN(CC)C(=O)c1ccc(I)c(OCCOC)c1.
What is the InChIKey of N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide?
The InChIKey is ZQMRISRHDJYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO3/c1-4-16(5-2)14(17)11-6-7-12(15)13(10-11)19-9-8-18-3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide?
N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide has a molecular weight of 377.22 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 67216621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).