(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide

C21H25N3O3 — CID 52507919

IUPAC(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)Nc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c1-14(27-2)20(25)24-18-10-6-9-17(13-18)22-19(15-7-4-3-5-8-15)21(26)23-16-11-12-16/h3-10,13-14,16,19,22H,11-12H2,1-2H3,(H,23,26)(H,24,25)/t14-,19-/m1/s1
InChIKeyLKNYRMRZEHRIGN-AUUYWEPGSA-N
MW367.45 g/mol
LogP3.09
Rot. Bonds8

About (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide

(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide (PubChem CID 52507919) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
PubChem CID52507919
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)Nc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c1-14(27-2)20(25)24-18-10-6-9-17(13-18)22-19(15-7-4-3-5-8-15)21(26)23-16-11-12-16/h3-10,13-14,16,19,22H,11-12H2,1-2H3,(H,23,26)(H,24,25)/t14-,19-/m1/s1
InChIKeyLKNYRMRZEHRIGN-AUUYWEPGSA-N
XLogP3.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide with MolForge

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
CID 41081211
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305159
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
2-methoxy-N-[3-[1-(1-methylcyclopropyl)ethylamino]phenyl]propanamide
CID 75516778
2-(3-acetamidoanilino)-2-phenylacetyl chloride
CID 142788297
N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 42956372

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide?
The IUPAC name of (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide (CID 52507919) is (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide is CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1.
What is the InChIKey of (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide?
The InChIKey is LKNYRMRZEHRIGN-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(27-2)20(25)24-18-10-6-9-17(13-18)22-19(15-7-4-3-5-8-15)21(26)23-16-11-12-16/h3-10,13-14,16,19,22H,11-12H2,1-2H3,(H,23,26)(H,24,25)/t14-,19-/m1/s1.
What are the key properties of (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide?
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide has a molecular weight of 367.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide is sourced from PubChem (CID 52507919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).