N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide

C16H23N3O2 — CID 108986203

IUPACN',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCCN(CC)C(=O)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-18(4-2)16(21)15(20)17-13-7-9-14(10-8-13)19-11-5-6-12-19/h7-10H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyIOBYUHZNVMCYGP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds4

About N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide

N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 108986203) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID108986203
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCCN(CC)C(=O)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-18(4-2)16(21)15(20)17-13-7-9-14(10-8-13)19-11-5-6-12-19/h7-10H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyIOBYUHZNVMCYGP-UHFFFAOYSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
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-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109030656
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108520940
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide
CID 108527599
N',N'-diethyl-N-phenyloxamide
CID 14925038
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide (CID 108986203) is N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide is CCN(CC)C(=O)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is IOBYUHZNVMCYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-18(4-2)16(21)15(20)17-13-7-9-14(10-8-13)19-11-5-6-12-19/h7-10H,3-6,11-12H2,1-2H3,(H,17,20).
What are the key properties of N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 289.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108986203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).