N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide

C23H25N3O2 — CID 155945474

IUPACN-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccn1CCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23(22-7-4-13-26(22)14-12-19-5-2-1-3-6-19)24-20-8-10-21(11-9-20)25-15-17-28-18-16-25/h1-11,13H,12,14-18H2,(H,24,27)
InChIKeyYMVYGDDWXJNUOC-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.82
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide

N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 155945474) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID155945474
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccn1CCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23(22-7-4-13-26(22)14-12-19-5-2-1-3-6-19)24-20-8-10-21(11-9-20)25-15-17-28-18-16-25/h1-11,13H,12,14-18H2,(H,24,27)
InChIKeyYMVYGDDWXJNUOC-UHFFFAOYSA-N
XLogP3.82
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 86876348
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093
1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56557962
(4-phenyl-1,4-diazepan-1-yl)-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86876351
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519104

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide (CID 155945474) is N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cccn1CCc1ccccc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is YMVYGDDWXJNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(22-7-4-13-26(22)14-12-19-5-2-1-3-6-19)24-20-8-10-21(11-9-20)25-15-17-28-18-16-25/h1-11,13H,12,14-18H2,(H,24,27).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 155945474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).