2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide

C22H31N3O2 — CID 20604440

IUPAC2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2)c(C)n1CCN1CCOCC1
InChIInChI=1S/C22H31N3O2/c1-17(15-20-7-5-4-6-8-20)23-22(26)21-16-18(2)25(19(21)3)10-9-24-11-13-27-14-12-24/h4-8,16-17H,9-15H2,1-3H3,(H,23,26)
InChIKeyYECUDGCOHUBKEM-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.80
Rot. Bonds7

About 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide

2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide (PubChem CID 20604440) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide
PubChem CID20604440
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2)c(C)n1CCN1CCOCC1
InChIInChI=1S/C22H31N3O2/c1-17(15-20-7-5-4-6-8-20)23-22(26)21-16-18(2)25(19(21)3)10-9-24-11-13-27-14-12-24/h4-8,16-17H,9-15H2,1-3H3,(H,23,26)
InChIKeyYECUDGCOHUBKEM-UHFFFAOYSA-N
XLogP2.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-[(2R)-1-phenylpropan-2-yl]pyrrole-3-carboxamide
CID 10270459
methyl (2S)-2-[[2,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonyl]amino]-3-phenylpropanoate
CID 10223487
N-butan-2-yl-2,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 53149865
1-(4-fluorophenyl)-2,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)pyrrole-3-carboxamide
CID 86949670
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
CID 55979378
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871
2-[4-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78817641
(2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 91381150
(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
1,6-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-oxopyridine-3-carboxamide
CID 126449276

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide (CID 20604440) is 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)Cc2ccccc2)c(C)n1CCN1CCOCC1.
What is the InChIKey of 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide?
The InChIKey is YECUDGCOHUBKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17(15-20-7-5-4-6-8-20)23-22(26)21-16-18(2)25(19(21)3)10-9-24-11-13-27-14-12-24/h4-8,16-17H,9-15H2,1-3H3,(H,23,26).
What are the key properties of 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide?
2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropan-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 20604440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).