(3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide

C22H30N2O4 — CID 23646485

IUPAC(3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
SMILESCOc1ccc(OC(C)(C)C(=O)NC2C3CC4C[C@@H]2CC(C(N)=O)(C4)C3)cc1
InChIInChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13?,14-,15?,18?,22?/m1/s1
InChIKeyMNVKIDPRYUGTTG-MXTVREPWSA-N
MW386.49 g/mol
LogP2.65
Rot. Bonds6

About (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide

(3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide (PubChem CID 23646485) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
PubChem CID23646485
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name(3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
SMILESCOc1ccc(OC(C)(C)C(=O)NC2C3CC4C[C@@H]2CC(C(N)=O)(C4)C3)cc1
InChIInChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13?,14-,15?,18?,22?/m1/s1
InChIKeyMNVKIDPRYUGTTG-MXTVREPWSA-N
XLogP2.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-Methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxamide
CID 11552169
4-[[2-(4-Methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 11552781
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 6
CID 23646480
Adamantane ether 10
CID 23646484
Adamantane ether 22
CID 23646492
Adamantane ether 23
CID 23646493
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 5239604

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide (CID 23646485) is (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide is COc1ccc(OC(C)(C)C(=O)NC2C3CC4C[C@@H]2CC(C(N)=O)(C4)C3)cc1.
What is the InChIKey of (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The InChIKey is MNVKIDPRYUGTTG-MXTVREPWSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13?,14-,15?,18?,22?/m1/s1.
What are the key properties of (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide?
(3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 23646485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).