N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide

C13H19IN2O2 — CID 67633417

IUPACN-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
SMILESCC(=O)Nc1ccc(I)c(OCCCN(C)C)c1
InChIInChI=1S/C13H19IN2O2/c1-10(17)15-11-5-6-12(14)13(9-11)18-8-4-7-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyYQBCWXASSHGSAR-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.58
Rot. Bonds6

About N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide

N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide (PubChem CID 67633417) has the molecular formula C13H19IN2O2 and a molecular weight of 362.21 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
PubChem CID67633417
Molecular FormulaC13H19IN2O2
Molecular Weight362.21 g/mol
Exact Mass362.05
IUPAC NameN-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
SMILESCC(=O)Nc1ccc(I)c(OCCCN(C)C)c1
InChIInChI=1S/C13H19IN2O2/c1-10(17)15-11-5-6-12(14)13(9-11)18-8-4-7-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyYQBCWXASSHGSAR-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
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

1-(4-bromo-3-methylphenyl)-3-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]urea;hydrochloride
CID 44533219
1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea
CID 54111043
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(2-nitrophenyl)urea
CID 54446553
N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide
CID 10188202
N-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]acetamide
CID 45273437
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea
CID 118591807
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide (CID 67633417) is N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide is CC(=O)Nc1ccc(I)c(OCCCN(C)C)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide?
The InChIKey is YQBCWXASSHGSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O2/c1-10(17)15-11-5-6-12(14)13(9-11)18-8-4-7-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide?
N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide has a molecular weight of 362.21 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide is sourced from PubChem (CID 67633417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).