(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide

C18H21N3O3 — CID 94371459

IUPAC(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12-10-15(13(2)21(12)14-6-4-3-5-7-14)18(23)20-8-9-24-16(11-20)17(19)22/h3-7,10,16H,8-9,11H2,1-2H3,(H2,19,22)/t16-/m0/s1
InChIKeyTZQWWNAEEDQUBK-INIZCTEOSA-N
MW327.38 g/mol
LogP1.42
Rot. Bonds3

About (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide

(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide (PubChem CID 94371459) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
PubChem CID94371459
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12-10-15(13(2)21(12)14-6-4-3-5-7-14)18(23)20-8-9-24-16(11-20)17(19)22/h3-7,10,16H,8-9,11H2,1-2H3,(H2,19,22)/t16-/m0/s1
InChIKeyTZQWWNAEEDQUBK-INIZCTEOSA-N
XLogP1.42
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120584
(2,5-dimethyl-1-phenylpyrrol-3-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 56547140
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 46798353
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110883810
4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
CID 49418952
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
CID 95584396
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242
2-[(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132212
(3R,4R)-4-cyclopropyl-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978795
2-[4-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248444

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide (CID 94371459) is (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide is Cc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c(C)n1-c1ccccc1.
What is the InChIKey of (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide?
The InChIKey is TZQWWNAEEDQUBK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-10-15(13(2)21(12)14-6-4-3-5-7-14)18(23)20-8-9-24-16(11-20)17(19)22/h3-7,10,16H,8-9,11H2,1-2H3,(H2,19,22)/t16-/m0/s1.
What are the key properties of (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide?
(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 94371459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).