N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide

C14H19N3O3 — CID 108507932

IUPACN-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H19N3O3/c1-10(12-6-4-3-5-7-12)17-14(20)13(19)16-9-8-15-11(2)18/h3-7,10H,8-9H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyFWOQBTPPQFUBQL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.12
Rot. Bonds5

About N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide

N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide (PubChem CID 108507932) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
PubChem CID108507932
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H19N3O3/c1-10(12-6-4-3-5-7-12)17-14(20)13(19)16-9-8-15-11(2)18/h3-7,10H,8-9H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyFWOQBTPPQFUBQL-UHFFFAOYSA-N
XLogP0.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
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'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide (CID 108507932) is N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide is CC(=O)NCCNC(=O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is FWOQBTPPQFUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(12-6-4-3-5-7-12)17-14(20)13(19)16-9-8-15-11(2)18/h3-7,10H,8-9H2,1-2H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide?
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 277.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 108507932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).