N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide

C15H17N3O3 — CID 3148860

IUPACN'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17N3O3/c1-18(2)12-7-5-11(6-8-12)17-15(20)14(19)16-10-13-4-3-9-21-13/h3-9H,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyMYRLIQOAWSUTIX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.60
Rot. Bonds4

About N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide

N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide (PubChem CID 3148860) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
PubChem CID3148860
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17N3O3/c1-18(2)12-7-5-11(6-8-12)17-15(20)14(19)16-10-13-4-3-9-21-13/h3-9H,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyMYRLIQOAWSUTIX-UHFFFAOYSA-N
XLogP1.60
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(furan-2-ylmethylamino)acetamide
CID 54773447
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide
CID 109018533
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
N-(furan-2-ylmethyl)-N'-[4-[5-(4-methoxy-N-methylanilino)-1,3,4-thiadiazol-2-yl]phenyl]oxamide
CID 42176214
N-[4-(furan-2-ylmethylcarbamothioylamino)phenyl]-N-methylacetamide
CID 19649192
N-(furan-2-ylmethyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 45492489
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
N-(furan-2-ylmethyl)-N'-(1H-indol-6-yl)oxamide
CID 39336216
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide (CID 3148860) is N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide is CN(C)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is MYRLIQOAWSUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(2)12-7-5-11(6-8-12)17-15(20)14(19)16-10-13-4-3-9-21-13/h3-9H,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide?
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 287.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 3148860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).