(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide

C18H21N3O3 — CID 7509504

IUPAC(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCCOc1ccc(N[C@@H](C(=O)NC(=O)NC)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-15-11-9-14(10-12-15)20-16(13-7-5-4-6-8-13)17(22)21-18(23)19-2/h4-12,16,20H,3H2,1-2H3,(H2,19,21,22,23)/t16-/m1/s1
InChIKeyLEQUYBBZZJLMCF-MRXNPFEDSA-N
MW327.38 g/mol
LogP2.69
Rot. Bonds6

About (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide

(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 7509504) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID7509504
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCCOc1ccc(N[C@@H](C(=O)NC(=O)NC)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-24-15-11-9-14(10-12-15)20-16(13-7-5-4-6-8-13)17(22)21-18(23)19-2/h4-12,16,20H,3H2,1-2H3,(H2,19,21,22,23)/t16-/m1/s1
InChIKeyLEQUYBBZZJLMCF-MRXNPFEDSA-N
XLogP2.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.69
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

(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
CID 7509578
N-(4-methoxyphenyl)-4-[[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]benzamide
CID 17495973
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 40690071
(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8774164
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7928876
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509426
(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 7594261
1-(4-ethoxyphenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide
CID 178099713
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide (CID 7509504) is (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide is CCOc1ccc(N[C@@H](C(=O)NC(=O)NC)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is LEQUYBBZZJLMCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-15-11-9-14(10-12-15)20-16(13-7-5-4-6-8-13)17(22)21-18(23)19-2/h4-12,16,20H,3H2,1-2H3,(H2,19,21,22,23)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide?
(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 327.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 7509504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).