(3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide

C21H28N2O3 — CID 23646480

IUPAC(3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide
SMILESCC(C)(Oc1ccccc1)C(=O)NC1C2CC3C[C@@H]1CC(C(N)=O)(C3)C2
InChIInChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13?,14-,15?,17?,21?/m1/s1
InChIKeyWLCAEXHUFPSPGJ-WWQFYGKTSA-N
MW356.47 g/mol
LogP2.64
Rot. Bonds5

About (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide

(3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide (PubChem CID 23646480) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide
PubChem CID23646480
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide
SMILESCC(C)(Oc1ccccc1)C(=O)NC1C2CC3C[C@@H]1CC(C(N)=O)(C3)C2
InChIInChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13?,14-,15?,17?,21?/m1/s1
InChIKeyWLCAEXHUFPSPGJ-WWQFYGKTSA-N
XLogP2.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-Chlorophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 11545617
4-[(2-Methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide
CID 11552169
4-[[2-(4-Methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 11552781
2-[4-[[2-(4-Chlorophenoxy)-2-methylpropanoyl]amino]-1-adamantyl]acetic acid
CID 11589528
3-[4-[[2-(4-Chlorophenoxy)-2-methylpropanoyl]amino]-1-adamantyl]propanoic acid
CID 11604154
4-[[2-(4-Chlorophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 11610822
4-[(2-Methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxylic acid
CID 44438556
N-(2-amino-2-oxoethyl)-4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 44438566
(1s,3r,4s,5s,7s)-4-{[2-(4-Methoxyphenoxy)-2-Methylpropanoyl]amino}adamantane-1-Carboxamide
CID 15942677
Adamantane ether 5
CID 23646479
Adamantane ether 8
CID 23646482
Adamantane ether 9
CID 23646483

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide?
The IUPAC name of (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide (CID 23646480) is (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide.
What is the SMILES notation for (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide?
The canonical SMILES for (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide is CC(C)(Oc1ccccc1)C(=O)NC1C2CC3C[C@@H]1CC(C(N)=O)(C3)C2.
What is the InChIKey of (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide?
The InChIKey is WLCAEXHUFPSPGJ-WWQFYGKTSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13?,14-,15?,17?,21?/m1/s1.
What are the key properties of (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide?
(3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide is sourced from PubChem (CID 23646480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).