(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide

C25H26N2O3 — CID 7833216

IUPAC(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](NCCOc2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18-11-13-23(14-12-18)30-16-15-26-24(20-7-4-3-5-8-20)25(29)27-22-10-6-9-21(17-22)19(2)28/h3-14,17,24,26H,15-16H2,1-2H3,(H,27,29)/t24-/m1/s1
InChIKeyCKUYVLGQLFXKFQ-XMMPIXPASA-N
MW402.49 g/mol
LogP4.55
Rot. Bonds9

About (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide

(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide (PubChem CID 7833216) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide
PubChem CID7833216
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](NCCOc2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-18-11-13-23(14-12-18)30-16-15-26-24(20-7-4-3-5-8-20)25(29)27-22-10-6-9-21(17-22)19(2)28/h3-14,17,24,26H,15-16H2,1-2H3,(H,27,29)/t24-/m1/s1
InChIKeyCKUYVLGQLFXKFQ-XMMPIXPASA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
CID 7147708
(2R)-N-(3-acetylphenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 2621450
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7980213
(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide
CID 40624932
N-(3-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 17444168
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-[2-(4-methylphenoxy)ethyl]azanium
CID 8515576
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8774164

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide (CID 7833216) is (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide is CC(=O)c1cccc(NC(=O)[C@H](NCCOc2ccc(C)cc2)c2ccccc2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide?
The InChIKey is CKUYVLGQLFXKFQ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-11-13-23(14-12-18)30-16-15-26-24(20-7-4-3-5-8-20)25(29)27-22-10-6-9-21(17-22)19(2)28/h3-14,17,24,26H,15-16H2,1-2H3,(H,27,29)/t24-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide?
(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide has a molecular weight of 402.49 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 7833216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).