N-(4-iodophenyl)-N',N'-dipropyloxamide

C14H19IN2O2 — CID 47335998

IUPACN-(4-iodophenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H19IN2O2/c1-3-9-17(10-4-2)14(19)13(18)16-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyZQMVLHPNSAKICU-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.88
Rot. Bonds5

About N-(4-iodophenyl)-N',N'-dipropyloxamide

N-(4-iodophenyl)-N',N'-dipropyloxamide (PubChem CID 47335998) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-N',N'-dipropyloxamide
PubChem CID47335998
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC NameN-(4-iodophenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H19IN2O2/c1-3-9-17(10-4-2)14(19)13(18)16-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyZQMVLHPNSAKICU-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
N-(4-carbamoylphenyl)-N',N'-dipropyloxamide
CID 108528696
ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108500129
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
CID 108519413
N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
CID 108986506
N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N-(4-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(4-iodophenyl)-N',N'-dipropyloxamide (CID 47335998) is N-(4-iodophenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(4-iodophenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(4-iodophenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-N',N'-dipropyloxamide?
The InChIKey is ZQMVLHPNSAKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-3-9-17(10-4-2)14(19)13(18)16-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(4-iodophenyl)-N',N'-dipropyloxamide?
N-(4-iodophenyl)-N',N'-dipropyloxamide has a molecular weight of 374.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 47335998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).