N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide

C25H32N4O4 — CID 42751272

IUPACN-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C25H32N4O4/c30-24(19-33-21-6-2-1-3-7-21)27-20-8-9-23(29-11-4-5-12-29)22(18-20)25(31)26-10-13-28-14-16-32-17-15-28/h1-3,6-9,18H,4-5,10-17,19H2,(H,26,31)(H,27,30)
InChIKeyHPLTZXOSARSNAU-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.37
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide

N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 42751272) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
PubChem CID42751272
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C25H32N4O4/c30-24(19-33-21-6-2-1-3-7-21)27-20-8-9-23(29-11-4-5-12-29)22(18-20)25(31)26-10-13-28-14-16-32-17-15-28/h1-3,6-9,18H,4-5,10-17,19H2,(H,26,31)(H,27,30)
InChIKeyHPLTZXOSARSNAU-UHFFFAOYSA-N
XLogP2.37
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3899934
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42751288
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)-5-[(2-phenoxyacetyl)amino]benzamide
CID 4579884
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751292
5-(3,3-dimethylbutanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064588
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 3321862

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide (CID 42751272) is N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide is O=C(COc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is HPLTZXOSARSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c30-24(19-33-21-6-2-1-3-7-21)27-20-8-9-23(29-11-4-5-12-29)22(18-20)25(31)26-10-13-28-14-16-32-17-15-28/h1-3,6-9,18H,4-5,10-17,19H2,(H,26,31)(H,27,30).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 452.56 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42751272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).