N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide

C24H32N4O3 — CID 43996673

IUPACN-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(c1ccc(N(C)C)cc1)N1CCCC1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-10-6-5-9-20(22)26-24(30)23(29)25-17-21(28-15-7-8-16-28)18-11-13-19(14-12-18)27(2)3/h5-6,9-14,21H,4,7-8,15-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyMOBAYNZXIIPJHM-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.04
Rot. Bonds8

About N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide

N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide (PubChem CID 43996673) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide
PubChem CID43996673
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(c1ccc(N(C)C)cc1)N1CCCC1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-10-6-5-9-20(22)26-24(30)23(29)25-17-21(28-15-7-8-16-28)18-11-13-19(14-12-18)27(2)3/h5-6,9-14,21H,4,7-8,15-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyMOBAYNZXIIPJHM-UHFFFAOYSA-N
XLogP3.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide (CID 43996673) is N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NCC(c1ccc(N(C)C)cc1)N1CCCC1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide?
The InChIKey is MOBAYNZXIIPJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-31-22-10-6-5-9-20(22)26-24(30)23(29)25-17-21(28-15-7-8-16-28)18-11-13-19(14-12-18)27(2)3/h5-6,9-14,21H,4,7-8,15-17H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide?
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide has a molecular weight of 424.55 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 43996673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).