(2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide

C17H20N2O3 — CID 172889584

IUPAC(2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide
SMILESC=CC(=O)N1CCO[C@@H](C(=O)Nc2ccccc2C2CC2)C1
InChIInChI=1S/C17H20N2O3/c1-2-16(20)19-9-10-22-15(11-19)17(21)18-14-6-4-3-5-13(14)12-7-8-12/h2-6,12,15H,1,7-11H2,(H,18,21)/t15-/m1/s1
InChIKeyKQGPJVDWQAPCKB-OAHLLOKOSA-N
MW300.36 g/mol
LogP1.92
Rot. Bonds4

About (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide

(2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide (PubChem CID 172889584) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide
PubChem CID172889584
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide
SMILESC=CC(=O)N1CCO[C@@H](C(=O)Nc2ccccc2C2CC2)C1
InChIInChI=1S/C17H20N2O3/c1-2-16(20)19-9-10-22-15(11-19)17(21)18-14-6-4-3-5-13(14)12-7-8-12/h2-6,12,15H,1,7-11H2,(H,18,21)/t15-/m1/s1
InChIKeyKQGPJVDWQAPCKB-OAHLLOKOSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-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

(2S)-4-prop-2-enoyl-N-(4-pyridin-4-ylphenyl)morpholine-2-carboxamide
CID 172889899
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766
N-[2-[1-(1,3-oxazole-4-carbonyl)piperidin-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 154863104
1-(2-phenyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 126814843
1-[(2S)-2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]morpholin-4-yl]prop-2-en-1-one
CID 172889905
(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide
CID 167799793
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
2-cyclopropyl-N-prop-1-en-2-ylaniline
CID 142442093
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411399
1-[2-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 136572489
N-[2-(2-phenylethynyl)phenyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166419736
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide (CID 172889584) is (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide is C=CC(=O)N1CCO[C@@H](C(=O)Nc2ccccc2C2CC2)C1.
What is the InChIKey of (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide?
The InChIKey is KQGPJVDWQAPCKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-16(20)19-9-10-22-15(11-19)17(21)18-14-6-4-3-5-13(14)12-7-8-12/h2-6,12,15H,1,7-11H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide?
(2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclopropylphenyl)-4-prop-2-enoylmorpholine-2-carboxamide is sourced from PubChem (CID 172889584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).