(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone

C19H24N2O2 — CID 118344835

IUPAC(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
SMILESCc1[nH]c(-c2ccccc2)c(C(C)C)c1C(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O2/c1-13(2)16-17(19(22)21-9-11-23-12-10-21)14(3)20-18(16)15-7-5-4-6-8-15/h4-8,13,20H,9-12H2,1-3H3
InChIKeyJNFPOMGSOAIVIA-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.59
Rot. Bonds3

About (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone

(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone (PubChem CID 118344835) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
PubChem CID118344835
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
SMILESCc1[nH]c(-c2ccccc2)c(C(C)C)c1C(=O)N1CCOCC1
InChIInChI=1S/C19H24N2O2/c1-13(2)16-17(19(22)21-9-11-23-12-10-21)14(3)20-18(16)15-7-5-4-6-8-15/h4-8,13,20H,9-12H2,1-3H3
InChIKeyJNFPOMGSOAIVIA-UHFFFAOYSA-N
XLogP3.59
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
2-(4,5-diphenyl-1H-imidazol-2-yl)-1-morpholin-4-ylethanone
CID 54562196
(2-amino-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 135038079
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
CID 42651593

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone (CID 118344835) is (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone is Cc1[nH]c(-c2ccccc2)c(C(C)C)c1C(=O)N1CCOCC1.
What is the InChIKey of (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is JNFPOMGSOAIVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)16-17(19(22)21-9-11-23-12-10-21)14(3)20-18(16)15-7-5-4-6-8-15/h4-8,13,20H,9-12H2,1-3H3.
What are the key properties of (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
(2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 312.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenyl-4-propan-2-yl-1H-pyrrol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 118344835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).