N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide

C18H30N4O2 — CID 75421668

IUPACN-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide
SMILESCCN(C)c1cccc(NC(=O)C(=O)NCC(C(C)C)N(C)C)c1
InChIInChI=1S/C18H30N4O2/c1-7-22(6)15-10-8-9-14(11-15)20-18(24)17(23)19-12-16(13(2)3)21(4)5/h8-11,13,16H,7,12H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyVECOILSUECKDPQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.78
Rot. Bonds7

About N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide

N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide (PubChem CID 75421668) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide
PubChem CID75421668
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide
SMILESCCN(C)c1cccc(NC(=O)C(=O)NCC(C(C)C)N(C)C)c1
InChIInChI=1S/C18H30N4O2/c1-7-22(6)15-10-8-9-14(11-15)20-18(24)17(23)19-12-16(13(2)3)21(4)5/h8-11,13,16H,7,12H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyVECOILSUECKDPQ-UHFFFAOYSA-N
XLogP1.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
CID 108522203
(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569659
1-[2-(dimethylamino)-3-methylbutyl]-3-(3-nitrophenyl)urea
CID 42939776
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N-[3-[ethyl(methyl)amino]phenyl]-2-(3-methylcyclohexyl)oxypropanamide
CID 86960782
N'-[3-(dimethylamino)phenyl]-N-pentyloxamide
CID 108521710
N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide
CID 86997037
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide (CID 75421668) is N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide is CCN(C)c1cccc(NC(=O)C(=O)NCC(C(C)C)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide?
The InChIKey is VECOILSUECKDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-7-22(6)15-10-8-9-14(11-15)20-18(24)17(23)19-12-16(13(2)3)21(4)5/h8-11,13,16H,7,12H2,1-6H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide?
N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide has a molecular weight of 334.46 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-methylbutyl]-N'-[3-[ethyl(methyl)amino]phenyl]oxamide is sourced from PubChem (CID 75421668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).