N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide

C22H27N3O4 — CID 3899934

IUPACN-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCOCCNC(=O)c1cc(NC(=O)COc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C22H27N3O4/c1-28-14-11-23-22(27)19-15-17(9-10-20(19)25-12-5-6-13-25)24-21(26)16-29-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26)
InChIKeyBRQGZBWQIGAJKH-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.68
Rot. Bonds9

About N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide

N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 3899934) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
PubChem CID3899934
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCOCCNC(=O)c1cc(NC(=O)COc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C22H27N3O4/c1-28-14-11-23-22(27)19-15-17(9-10-20(19)25-12-5-6-13-25)24-21(26)16-29-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26)
InChIKeyBRQGZBWQIGAJKH-UHFFFAOYSA-N
XLogP2.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)-5-[(2-phenoxyacetyl)amino]benzamide
CID 4579884
N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42751272
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(2-phenoxyacetyl)amino]benzamide
CID 3968454
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3931057
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 3588490
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 1063091
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide (CID 3899934) is N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide is COCCNC(=O)c1cc(NC(=O)COc2ccccc2)ccc1N1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is BRQGZBWQIGAJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-14-11-23-22(27)19-15-17(9-10-20(19)25-12-5-6-13-25)24-21(26)16-29-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide?
N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 3899934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).