N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide

C21H27N3O2 — CID 108518693

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)N(CC)c2ccccc2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-5-23(6-2)18-13-14-19(16(4)15-18)22-20(25)21(26)24(7-3)17-11-9-8-10-12-17/h8-15H,5-7H2,1-4H3,(H,22,25)
InChIKeyLIBDOGUGOPZSGE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.83
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide

N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide (PubChem CID 108518693) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
PubChem CID108518693
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)N(CC)c2ccccc2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-5-23(6-2)18-13-14-19(16(4)15-18)22-20(25)21(26)24(7-3)17-11-9-8-10-12-17/h8-15H,5-7H2,1-4H3,(H,22,25)
InChIKeyLIBDOGUGOPZSGE-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
CID 959463
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide (CID 108518693) is N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide is CCN(CC)c1ccc(NC(=O)C(=O)N(CC)c2ccccc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide?
The InChIKey is LIBDOGUGOPZSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-23(6-2)18-13-14-19(16(4)15-18)22-20(25)21(26)24(7-3)17-11-9-8-10-12-17/h8-15H,5-7H2,1-4H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide has a molecular weight of 353.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 108518693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).