N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide

C15H21N3O2 — CID 47226004

IUPACN-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-9-16-14(19)15(20)17-12-5-7-13(8-6-12)18-10-3-4-11-18/h5-8H,2-4,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyXZGDOFRUFLOVBU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.75
Rot. Bonds4

About N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide

N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 47226004) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID47226004
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-9-16-14(19)15(20)17-12-5-7-13(8-6-12)18-10-3-4-11-18/h5-8H,2-4,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyXZGDOFRUFLOVBU-UHFFFAOYSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.75
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-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide (CID 47226004) is N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide is CCCNC(=O)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is XZGDOFRUFLOVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-9-16-14(19)15(20)17-12-5-7-13(8-6-12)18-10-3-4-11-18/h5-8H,2-4,9-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 275.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 47226004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).