N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide

C23H30N2O2 — CID 177024717

IUPACN-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cccc(Cc2ccc(N3CCC(O)C3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-3-13-24(4-2)23(27)20-7-5-6-19(16-20)15-18-8-10-21(11-9-18)25-14-12-22(26)17-25/h5-11,16,22,26H,3-4,12-15,17H2,1-2H3
InChIKeyZWPRUTUIIRACLB-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.72
Rot. Bonds7

About N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide

N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide (PubChem CID 177024717) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide
PubChem CID177024717
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1cccc(Cc2ccc(N3CCC(O)C3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-3-13-24(4-2)23(27)20-7-5-6-19(16-20)15-18-8-10-21(11-9-18)25-14-12-22(26)17-25/h5-11,16,22,26H,3-4,12-15,17H2,1-2H3
InChIKeyZWPRUTUIIRACLB-UHFFFAOYSA-N
XLogP3.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide?
The IUPAC name of N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide (CID 177024717) is N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide.
What is the SMILES notation for N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide?
The canonical SMILES for N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide is CCCN(CC)C(=O)c1cccc(Cc2ccc(N3CCC(O)C3)cc2)c1.
What is the InChIKey of N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide?
The InChIKey is ZWPRUTUIIRACLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-13-24(4-2)23(27)20-7-5-6-19(16-20)15-18-8-10-21(11-9-18)25-14-12-22(26)17-25/h5-11,16,22,26H,3-4,12-15,17H2,1-2H3.
What are the key properties of N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide?
N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[4-(3-hydroxypyrrolidin-1-yl)phenyl]methyl]-N-propylbenzamide is sourced from PubChem (CID 177024717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).