N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide

C20H23N3O2 — CID 108986873

IUPACN'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2)c1C
InChIInChI=1S/C20H23N3O2/c1-14-6-5-7-18(15(14)2)22-20(25)19(24)21-16-8-10-17(11-9-16)23-12-3-4-13-23/h5-11H,3-4,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAQILJEWYDMGKEO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.48
Rot. Bonds3

About N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide

N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 108986873) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID108986873
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2)c1C
InChIInChI=1S/C20H23N3O2/c1-14-6-5-7-18(15(14)2)22-20(25)19(24)21-16-8-10-17(11-9-16)23-12-3-4-13-23/h5-11H,3-4,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAQILJEWYDMGKEO-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
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

N-(2,3-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282361
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108857550
3-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109036061
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
2-(azepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 47335483
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
6-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109357187
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987317
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (CID 108986873) is N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)cc2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is AQILJEWYDMGKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-6-5-7-18(15(14)2)22-20(25)19(24)21-16-8-10-17(11-9-16)23-12-3-4-13-23/h5-11H,3-4,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 337.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108986873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).