N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide

C16H25N3O2 — CID 108521655

IUPACN-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C16H25N3O2/c1-4-6-10-19(9-5-2)16(21)15(20)18-14-8-7-12(3)11-13(14)17/h7-8,11H,4-6,9-10,17H2,1-3H3,(H,18,20)
InChIKeyCDXOZDVQDCNFBL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.55
Rot. Bonds6

About N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide

N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide (PubChem CID 108521655) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
PubChem CID108521655
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C16H25N3O2/c1-4-6-10-19(9-5-2)16(21)15(20)18-14-8-7-12(3)11-13(14)17/h7-8,11H,4-6,9-10,17H2,1-3H3,(H,18,20)
InChIKeyCDXOZDVQDCNFBL-UHFFFAOYSA-N
XLogP2.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
CID 108524625
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
CID 108515302
N-(4-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
CID 108509295
N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
CID 47334597
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
methyl 2-[[2-[butyl(propyl)amino]-2-oxoacetyl]amino]benzoate
CID 108512395
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide (CID 108521655) is N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1ccc(C)cc1N.
What is the InChIKey of N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide?
The InChIKey is CDXOZDVQDCNFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-6-10-19(9-5-2)16(21)15(20)18-14-8-7-12(3)11-13(14)17/h7-8,11H,4-6,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide?
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide has a molecular weight of 291.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide is sourced from PubChem (CID 108521655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).