(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide

C19H22N2O3 — CID 94796172

IUPAC(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
SMILESCOc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1CO
InChIInChI=1S/C19H22N2O3/c1-24-17-10-9-16(11-14(17)12-22)20-18(13-5-3-2-4-6-13)19(23)21-15-7-8-15/h2-6,9-11,15,18,20,22H,7-8,12H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyKWMRYQCXQAZYRM-SFHVURJKSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds7

About (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide (PubChem CID 94796172) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
PubChem CID94796172
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
SMILESCOc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1CO
InChIInChI=1S/C19H22N2O3/c1-24-17-10-9-16(11-14(17)12-22)20-18(13-5-3-2-4-6-13)19(23)21-15-7-8-15/h2-6,9-11,15,18,20,22H,7-8,12H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyKWMRYQCXQAZYRM-SFHVURJKSA-N
XLogP2.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
CID 78807692
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
CID 70004150
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667519

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide (CID 94796172) is (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide is COc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1CO.
What is the InChIKey of (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide?
The InChIKey is KWMRYQCXQAZYRM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-17-10-9-16(11-14(17)12-22)20-18(13-5-3-2-4-6-13)19(23)21-15-7-8-15/h2-6,9-11,15,18,20,22H,7-8,12H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide is sourced from PubChem (CID 94796172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).