2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide

C19H23IN2O2 — CID 100527983

IUPAC2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide
SMILESCOc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2I)cc1
InChIInChI=1S/C19H23IN2O2/c1-14-5-10-17(18(20)13-14)19(23)21-11-4-12-22(2)15-6-8-16(24-3)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyGPOSKHCFUPIXFI-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.86
Rot. Bonds7

About 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide

2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide (PubChem CID 100527983) has the molecular formula C19H23IN2O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide
PubChem CID100527983
Molecular FormulaC19H23IN2O2
Molecular Weight438.31 g/mol
Exact Mass438.08
IUPAC Name2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide
SMILESCOc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2I)cc1
InChIInChI=1S/C19H23IN2O2/c1-14-5-10-17(18(20)13-14)19(23)21-11-4-12-22(2)15-6-8-16(24-3)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyGPOSKHCFUPIXFI-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
CID 100527914
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
CID 100535556
5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
CID 100530036
2-iodo-N-[3-(2-methoxyphenyl)propyl]-4-methylbenzamide
CID 100526608
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
CID 119505130
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562567

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide?
The IUPAC name of 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide (CID 100527983) is 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide.
What is the SMILES notation for 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide?
The canonical SMILES for 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide is COc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2I)cc1.
What is the InChIKey of 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide?
The InChIKey is GPOSKHCFUPIXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O2/c1-14-5-10-17(18(20)13-14)19(23)21-11-4-12-22(2)15-6-8-16(24-3)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide?
2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide has a molecular weight of 438.31 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide is sourced from PubChem (CID 100527983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).