N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide

C24H27N3O2 — CID 110304128

IUPACN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cccc(C(CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)c1
InChIInChI=1S/C24H27N3O2/c1-19-5-4-6-21(17-19)23(27-13-15-29-16-14-27)18-25-24(28)20-7-9-22(10-8-20)26-11-2-3-12-26/h2-12,17,23H,13-16,18H2,1H3,(H,25,28)
InChIKeyBFISDBBRMOYMRU-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110304128) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
PubChem CID110304128
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
SMILESCc1cccc(C(CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)c1
InChIInChI=1S/C24H27N3O2/c1-19-5-4-6-21(17-19)23(27-13-15-29-16-14-27)18-25-24(28)20-7-9-22(10-8-20)26-11-2-3-12-26/h2-12,17,23H,13-16,18H2,1H3,(H,25,28)
InChIKeyBFISDBBRMOYMRU-UHFFFAOYSA-N
XLogP3.59
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 95143165
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110302906
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55843403
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
CID 167784651
3-bromo-N-[2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 55659969
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide (CID 110304128) is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide is Cc1cccc(C(CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is BFISDBBRMOYMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-19-5-4-6-21(17-19)23(27-13-15-29-16-14-27)18-25-24(28)20-7-9-22(10-8-20)26-11-2-3-12-26/h2-12,17,23H,13-16,18H2,1H3,(H,25,28).
What are the key properties of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110304128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).