2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide

C20H33N3O2 — CID 119477047

IUPAC2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide
SMILESNC1CCC(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H33N3O2/c21-16-1-3-17(4-2-16)23-19(25)12-22-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-17H,1-12,21H2,(H,22,24)(H,23,25)
InChIKeyARMHUQBXQNVLJA-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.10
Rot. Bonds5

About 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide (PubChem CID 119477047) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide
PubChem CID119477047
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide
SMILESNC1CCC(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H33N3O2/c21-16-1-3-17(4-2-16)23-19(25)12-22-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-17H,1-12,21H2,(H,22,24)(H,23,25)
InChIKeyARMHUQBXQNVLJA-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]acetamide
CID 111661333
2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide
CID 166261569
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755373
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
2-(1-adamantyl)-N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 119485530
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 111539328
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18106489
2-(1-adamantyl)-N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]acetamide
CID 55708326
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119474993

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide (CID 119477047) is 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide is NC1CCC(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide?
The InChIKey is ARMHUQBXQNVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c21-16-1-3-17(4-2-16)23-19(25)12-22-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-17H,1-12,21H2,(H,22,24)(H,23,25).
What are the key properties of 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 119477047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).