3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide

C21H34N4O2 — CID 119458642

IUPAC3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC1CC2CCC(C1)N2
InChIInChI=1S/C21H34N4O2/c26-19(24-18-8-16-1-2-17(9-18)23-16)3-4-22-20(27)25-21-10-13-5-14(11-21)7-15(6-13)12-21/h13-18,23H,1-12H2,(H,24,26)(H2,22,25,27)
InChIKeyHYKPZMRMYYVBRZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.04
Rot. Bonds5

About 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide

3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 119458642) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID119458642
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC1CC2CCC(C1)N2
InChIInChI=1S/C21H34N4O2/c26-19(24-18-8-16-1-2-17(9-18)23-16)3-4-22-20(27)25-21-10-13-5-14(11-21)7-15(6-13)12-21/h13-18,23H,1-12H2,(H,24,26)(H2,22,25,27)
InChIKeyHYKPZMRMYYVBRZ-UHFFFAOYSA-N
XLogP2.04
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide;hydrochloride
CID 119458641
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601315
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601314
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576698
3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 46798188
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518
3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
CID 26915513
1-(1-adamantyl)-3-hexylurea
CID 102308549
1-(1-adamantyl)-3-(6-oxooctyl)urea
CID 58239524
3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564892
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 119458642) is 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide is O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC1CC2CCC(C1)N2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is HYKPZMRMYYVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c26-19(24-18-8-16-1-2-17(9-18)23-16)3-4-22-20(27)25-21-10-13-5-14(11-21)7-15(6-13)12-21/h13-18,23H,1-12H2,(H,24,26)(H2,22,25,27).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 374.53 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 119458642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).