(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide

C18H20N2O2 — CID 41012863

IUPAC(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
SMILESCOc1ccccc1N[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-6-5-9-15(16)20-17(13-7-3-2-4-8-13)18(21)19-14-11-12-14/h2-10,14,17,20H,11-12H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyGSYCXXWWNSITBD-KRWDZBQOSA-N
MW296.37 g/mol
LogP3.13
Rot. Bonds6

About (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide

(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide (PubChem CID 41012863) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
PubChem CID41012863
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
SMILESCOc1ccccc1N[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-6-5-9-15(16)20-17(13-7-3-2-4-8-13)18(21)19-14-11-12-14/h2-10,14,17,20H,11-12H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyGSYCXXWWNSITBD-KRWDZBQOSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide
CID 43817563
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide (CID 41012863) is (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide is COc1ccccc1N[C@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide?
The InChIKey is GSYCXXWWNSITBD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-16-10-6-5-9-15(16)20-17(13-7-3-2-4-8-13)18(21)19-14-11-12-14/h2-10,14,17,20H,11-12H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide?
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide has a molecular weight of 296.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide is sourced from PubChem (CID 41012863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).