(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate

C23H29NO5 — CID 7190646

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29NO5/c1-14(25)18-3-4-20(28-2)19(8-18)13-29-21(26)12-24-22(27)23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,24,27)
InChIKeyXOILAYJVTSDBSZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.27
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate

(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate (PubChem CID 7190646) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
PubChem CID7190646
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29NO5/c1-14(25)18-3-4-20(28-2)19(8-18)13-29-21(26)12-24-22(27)23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,24,27)
InChIKeyXOILAYJVTSDBSZ-UHFFFAOYSA-N
XLogP3.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate 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

(5-acetyl-2-ethoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 3358991
(5-acetyl-2-methoxyphenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458966
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
(5-acetyl-2-methoxyphenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883151
(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309705
(4-methylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190613
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
1,3-benzodioxol-5-ylmethyl 2-(adamantane-1-carbonylamino)acetate
CID 7190791
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 30870609
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534676
(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535665

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate (CID 7190646) is (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate is COc1ccc(C(C)=O)cc1COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is XOILAYJVTSDBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-14(25)18-3-4-20(28-2)19(8-18)13-29-21(26)12-24-22(27)23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,24,27).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 399.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 7190646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).