(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide

C18H19N3O3 — CID 94371242

IUPAC(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CCO1
InChIInChI=1S/C18H19N3O3/c19-17(22)16-12-21(10-11-24-16)18(23)14-8-4-5-9-15(14)20-13-6-2-1-3-7-13/h1-9,16,20H,10-12H2,(H2,19,22)/t16-/m0/s1
InChIKeyBGLCEDGVWVKIPH-INIZCTEOSA-N
MW325.37 g/mol
LogP1.76
Rot. Bonds4

About (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide

(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide (PubChem CID 94371242) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
PubChem CID94371242
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CCO1
InChIInChI=1S/C18H19N3O3/c19-17(22)16-12-21(10-11-24-16)18(23)14-8-4-5-9-15(14)20-13-6-2-1-3-7-13/h1-9,16,20H,10-12H2,(H2,19,22)/t16-/m0/s1
InChIKeyBGLCEDGVWVKIPH-INIZCTEOSA-N
XLogP1.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
(2-anilinophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635435
(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
CID 94371459
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
4-(2-iodobenzoyl)morpholine-2-carbothioamide
CID 79674398
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinophenyl)methanone;hydrochloride
CID 120656529

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide (CID 94371242) is (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide is NC(=O)[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide?
The InChIKey is BGLCEDGVWVKIPH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-17(22)16-12-21(10-11-24-16)18(23)14-8-4-5-9-15(14)20-13-6-2-1-3-7-13/h1-9,16,20H,10-12H2,(H2,19,22)/t16-/m0/s1.
What are the key properties of (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide?
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide is sourced from PubChem (CID 94371242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).