3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide

C20H30N4O2 — CID 86913605

IUPAC3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide
SMILESN#CC1(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1
InChIInChI=1S/C20H30N4O2/c21-13-19(4-1-2-5-19)23-17(25)3-6-22-18(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-12H2,(H,23,25)(H2,22,24,26)
InChIKeyPZORUNRMBKFLGS-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.60
Rot. Bonds5

About 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide

3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide (PubChem CID 86913605) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide
PubChem CID86913605
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide
SMILESN#CC1(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1
InChIInChI=1S/C20H30N4O2/c21-13-19(4-1-2-5-19)23-17(25)3-6-22-18(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-12H2,(H,23,25)(H2,22,24,26)
InChIKeyPZORUNRMBKFLGS-UHFFFAOYSA-N
XLogP2.60
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 60424712
3-(1-adamantylcarbamoylamino)-N-(3-amino-2,2-difluoropropyl)propanamide;hydrochloride
CID 120409029
3-(1-adamantylcarbamoylamino)-N-(3-amino-2,2-difluoropropyl)propanamide
CID 120409030
3-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]propanamide
CID 9113249
3-(1-Adamantylcarbamoylamino)propanamide
CID 47102661
2-(1-adamantylcarbamoylamino)-N-(2-cyanoethyl)propanamide
CID 90885162
2-[3-(1-Adamantylcarbamoylamino)propanoylamino]ethyl-dimethylazanium
CID 9113248
N-(1-adamantylcarbamoyl)-3-[2-cyanoethyl(2-methylpropyl)amino]propanamide
CID 24232813
3-(1-adamantylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide
CID 26456984
3-(1-adamantylcarbamoylamino)-N-propan-2-ylpropanamide
CID 26498972
1-(1-Adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 26500532
3-(1-adamantylcarbamoylamino)-N-pentylpropanamide
CID 26532650

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide (CID 86913605) is 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide is N#CC1(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide?
The InChIKey is PZORUNRMBKFLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c21-13-19(4-1-2-5-19)23-17(25)3-6-22-18(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-12H2,(H,23,25)(H2,22,24,26).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide is sourced from PubChem (CID 86913605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).