[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate

C23H38N2O3 — CID 24948739

IUPAC[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C23H38N2O3/c1-15(2)13-24-22(27)28-14-23(5-3-4-6-23)12-20(26)25-21-18-8-16-7-17(10-18)11-19(21)9-16/h15-19,21H,3-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZDXCKKAZUUITDV-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.26
Rot. Bonds7

About [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate

[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate (PubChem CID 24948739) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate
PubChem CID24948739
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C23H38N2O3/c1-15(2)13-24-22(27)28-14-23(5-3-4-6-23)12-20(26)25-21-18-8-16-7-17(10-18)11-19(21)9-16/h15-19,21H,3-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZDXCKKAZUUITDV-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,3S)-3-[(adamantane-1-carbonylamino)methyl]cyclopentyl]carbamate
CID 11494566
butyl N-[1-[(5-carbamoyl-2-adamantyl)amino]-2-methylpropan-2-yl]carbamate
CID 71246933
butyl N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]carbamate
CID 108564234
butyl N-[1-(adamantane-1-carbonyl)piperidin-4-yl]carbamate
CID 108567255
butyl N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]carbamate
CID 108571536

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate?
The IUPAC name of [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate (CID 24948739) is [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate?
The canonical SMILES for [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OCC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1.
What is the InChIKey of [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate?
The InChIKey is ZDXCKKAZUUITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-15(2)13-24-22(27)28-14-23(5-3-4-6-23)12-20(26)25-21-18-8-16-7-17(10-18)11-19(21)9-16/h15-19,21H,3-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate?
[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate has a molecular weight of 390.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]methyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 24948739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).