N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide

C13H17N3O3 — CID 47333935

IUPACN-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
SMILESCC(=O)NCCNC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H17N3O3/c1-10(17)14-8-9-15-12(18)13(19)16(2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyRDMAREBKKYJHSB-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.10
Rot. Bonds4

About N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide

N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide (PubChem CID 47333935) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
PubChem CID47333935
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
SMILESCC(=O)NCCNC(=O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H17N3O3/c1-10(17)14-8-9-15-12(18)13(19)16(2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyRDMAREBKKYJHSB-UHFFFAOYSA-N
XLogP-0.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-N'-methyl-N'-phenyloxamide
CID 108520926
N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
CID 108520921
N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
CID 87039327
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide
CID 62003887
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
CID 89087492
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
CID 47226224
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide
CID 108506421
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide (CID 47333935) is N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide is CC(=O)NCCNC(=O)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide?
The InChIKey is RDMAREBKKYJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-10(17)14-8-9-15-12(18)13(19)16(2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide?
N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide has a molecular weight of 263.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 47333935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).