N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide

C14H20IN3O2 — CID 47225107

IUPACN-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C14H20IN3O2/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyIIDCINAHBZDVNN-UHFFFAOYSA-N
MW389.24 g/mol
LogP1.61
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide (PubChem CID 47225107) has the molecular formula C14H20IN3O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
PubChem CID47225107
Molecular FormulaC14H20IN3O2
Molecular Weight389.24 g/mol
Exact Mass389.06
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C14H20IN3O2/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyIIDCINAHBZDVNN-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide (CID 47225107) is N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide is Cc1cc(I)ccc1NC(=O)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is IIDCINAHBZDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O2/c1-10-9-11(15)5-6-12(10)17-14(20)13(19)16-7-4-8-18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 389.24 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 47225107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).