N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide

C16H15N3O4 — CID 99876513

IUPACN'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide
SMILESCO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccco1
InChIInChI=1S/C16H15N3O4/c1-22-14(13-7-4-8-23-13)10-18-15(20)16(21)19-12-6-3-2-5-11(12)9-17/h2-8,14H,10H2,1H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyIZZBLUNIHHRFFX-CQSZACIVSA-N
MW313.31 g/mol
LogP1.59
Rot. Bonds5

About N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide

N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide (PubChem CID 99876513) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide
PubChem CID99876513
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide
SMILESCO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccco1
InChIInChI=1S/C16H15N3O4/c1-22-14(13-7-4-8-23-13)10-18-15(20)16(21)19-12-6-3-2-5-11(12)9-17/h2-8,14H,10H2,1H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyIZZBLUNIHHRFFX-CQSZACIVSA-N
XLogP1.59
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2-cyanophenyl)oxamide
CID 90623942
N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 73168459
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876507
N'-(2-cyanophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179100
N'-(2-cyanophenyl)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525841
N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 121145738
N'-(2-cyanophenyl)-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 99873406
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99876519
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide (CID 99876513) is N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide is CO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccco1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide?
The InChIKey is IZZBLUNIHHRFFX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-14(13-7-4-8-23-13)10-18-15(20)16(21)19-12-6-3-2-5-11(12)9-17/h2-8,14H,10H2,1H3,(H,18,20)(H,19,21)/t14-/m1/s1.
What are the key properties of N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide?
N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide has a molecular weight of 313.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide is sourced from PubChem (CID 99876513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).