N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide

C20H23N3O4 — CID 108987415

IUPACN'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-26-16-9-10-18(27-2)17(13-16)22-20(25)19(24)21-14-5-7-15(8-6-14)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQTVLXBULTAUWKU-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.88
Rot. Bonds5

About N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide

N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 108987415) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID108987415
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-26-16-9-10-18(27-2)17(13-16)22-20(25)19(24)21-14-5-7-15(8-6-14)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQTVLXBULTAUWKU-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
1-N'-(2-methoxy-5-methylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983207
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203566

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (CID 108987415) is N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is COc1ccc(OC)c(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is QTVLXBULTAUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-16-9-10-18(27-2)17(13-16)22-20(25)19(24)21-14-5-7-15(8-6-14)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 369.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108987415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).