[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate

C24H32N2O5 — CID 8528675

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O5/c1-15-3-4-20(30-2)19(7-15)26-21(27)14-31-22(28)5-6-25-23(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-4,7,16-18H,5-6,8-14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyMZUCICQDGRYIAX-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.21
Rot. Bonds8

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate (PubChem CID 8528675) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
PubChem CID8528675
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O5/c1-15-3-4-20(30-2)19(7-15)26-21(27)14-31-22(28)5-6-25-23(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-4,7,16-18H,5-6,8-14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyMZUCICQDGRYIAX-UHFFFAOYSA-N
XLogP3.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528825
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (5R,7R)-3-bromoadamantane-1-carboxylate
CID 98401636
N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 9263320
2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 8512834
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 55465499
(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528535
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676056
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 30870609
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148116
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8529028
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8509142
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate (CID 8528675) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate is COc1ccc(C)cc1NC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate?
The InChIKey is MZUCICQDGRYIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-15-3-4-20(30-2)19(7-15)26-21(27)14-31-22(28)5-6-25-23(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-4,7,16-18H,5-6,8-14H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate has a molecular weight of 428.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate is sourced from PubChem (CID 8528675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).