N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide

C17H27N3O2 — CID 108524625

IUPACN-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
SMILESCCCCN(CCCC)C(=O)C(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C17H27N3O2/c1-4-6-10-20(11-7-5-2)17(22)16(21)19-15-12-13(3)8-9-14(15)18/h8-9,12H,4-7,10-11,18H2,1-3H3,(H,19,21)
InChIKeySCGAJCXPHSVNAK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.94
Rot. Bonds7

About N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide

N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide (PubChem CID 108524625) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
PubChem CID108524625
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
SMILESCCCCN(CCCC)C(=O)C(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C17H27N3O2/c1-4-6-10-20(11-7-5-2)17(22)16(21)19-15-12-13(3)8-9-14(15)18/h8-9,12H,4-7,10-11,18H2,1-3H3,(H,19,21)
InChIKeySCGAJCXPHSVNAK-UHFFFAOYSA-N
XLogP2.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.94
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-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
CID 47334597
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509860
N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
CID 108515302
butyl 2-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108514704
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
CID 5047636
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide (CID 108524625) is N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide is CCCCN(CCCC)C(=O)C(=O)Nc1cc(C)ccc1N.
What is the InChIKey of N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide?
The InChIKey is SCGAJCXPHSVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-6-10-20(11-7-5-2)17(22)16(21)19-15-12-13(3)8-9-14(15)18/h8-9,12H,4-7,10-11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide?
N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide has a molecular weight of 305.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide is sourced from PubChem (CID 108524625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).