(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide

C26H31N3O2 — CID 7928876

IUPAC(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C26H31N3O2/c1-27-25(31)29-24(30)23(20-5-3-2-4-6-20)28-22-9-7-21(8-10-22)26-14-17-11-18(15-26)13-19(12-17)16-26/h2-10,17-19,23,28H,11-16H2,1H3,(H2,27,29,30,31)/t17?,18?,19?,23-,26?/m1/s1
InChIKeyUKSAVAODFYMJNE-DHUDBDOYSA-N
MW417.55 g/mol
LogP4.76
Rot. Bonds5

About (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide

(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 7928876) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID7928876
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C26H31N3O2/c1-27-25(31)29-24(30)23(20-5-3-2-4-6-20)28-22-9-7-21(8-10-22)26-14-17-11-18(15-26)13-19(12-17)16-26/h2-10,17-19,23,28H,11-16H2,1H3,(H2,27,29,30,31)/t17?,18?,19?,23-,26?/m1/s1
InChIKeyUKSAVAODFYMJNE-DHUDBDOYSA-N
XLogP4.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 7928876) is (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@H](Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is UKSAVAODFYMJNE-DHUDBDOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-27-25(31)29-24(30)23(20-5-3-2-4-6-20)28-22-9-7-21(8-10-22)26-14-17-11-18(15-26)13-19(12-17)16-26/h2-10,17-19,23,28H,11-16H2,1H3,(H2,27,29,30,31)/t17?,18?,19?,23-,26?/m1/s1.
What are the key properties of (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 417.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 7928876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).