2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide

C22H37N3O3 — CID 120888648

IUPAC2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
SMILESCOCC1(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CCNCC1
InChIInChI=1S/C22H37N3O3/c1-28-15-21(2-4-23-5-3-21)14-25-20(27)13-24-19(26)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h16-18,23H,2-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyAPQZKLNUTMDHQQ-UHFFFAOYSA-N
MW391.56 g/mol
LogP1.84
Rot. Bonds8

About 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide (PubChem CID 120888648) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
PubChem CID120888648
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
SMILESCOCC1(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CCNCC1
InChIInChI=1S/C22H37N3O3/c1-28-15-21(2-4-23-5-3-21)14-25-20(27)13-24-19(26)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h16-18,23H,2-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyAPQZKLNUTMDHQQ-UHFFFAOYSA-N
XLogP1.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide
CID 100734323
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
CID 120890604
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120891836
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120891835
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 111539328
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
2-(1-adamantyl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]acetamide
CID 114758033
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride
CID 120891376

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide (CID 120888648) is 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide is COCC1(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CCNCC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide?
The InChIKey is APQZKLNUTMDHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-28-15-21(2-4-23-5-3-21)14-25-20(27)13-24-19(26)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h16-18,23H,2-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide has a molecular weight of 391.56 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 120888648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).