2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C21H32N6O3 — CID 46957202

IUPAC2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCc1nnn(C23CC4CC(CC(CC(=O)NCCC(=O)N5CCOCC5)(C4)C2)C3)n1
InChIInChI=1S/C21H32N6O3/c1-15-23-25-27(24-15)21-11-16-8-17(12-21)10-20(9-16,14-21)13-18(28)22-3-2-19(29)26-4-6-30-7-5-26/h16-17H,2-14H2,1H3,(H,22,28)
InChIKeyGUJHEZCXPXHCAM-UHFFFAOYSA-N
MW416.53 g/mol
LogP1.03
Rot. Bonds6

About 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 46957202) has the molecular formula C21H32N6O3 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID46957202
Molecular FormulaC21H32N6O3
Molecular Weight416.53 g/mol
Exact Mass416.25
IUPAC Name2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCc1nnn(C23CC4CC(CC(CC(=O)NCCC(=O)N5CCOCC5)(C4)C2)C3)n1
InChIInChI=1S/C21H32N6O3/c1-15-23-25-27(24-15)21-11-16-8-17(12-21)10-20(9-16,14-21)13-18(28)22-3-2-19(29)26-4-6-30-7-5-26/h16-17H,2-14H2,1H3,(H,22,28)
InChIKeyGUJHEZCXPXHCAM-UHFFFAOYSA-N
XLogP1.03
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5S,7S)-3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-[(2R)-2-morpholin-4-ylpropyl]acetamide
CID 98132763
(5R,7R)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxylic acid
CID 98042925
2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
CID 45247652
1-(1-ethyltetrazol-5-yl)-3-[(5R,7S)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea
CID 31053753
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
CID 131909625
N-(2-methylphenyl)-3-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide
CID 98342898
4-(aminomethyl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]benzamide
CID 122566237
N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]-2-[(5S,7S)-3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 98466873
3-chloro-6-fluoro-N-methyl-4-[[3-(5-methyltetrazol-2-yl)-1-adamantyl]methoxy]-5-sulfonylcyclohexa-1,3-diene-1-carboxamide
CID 140663530
1-ethyl-1-methyl-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 113229862
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090
(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide
CID 98304197

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The IUPAC name of 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 46957202) is 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.
What is the SMILES notation for 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is Cc1nnn(C23CC4CC(CC(CC(=O)NCCC(=O)N5CCOCC5)(C4)C2)C3)n1.
What is the InChIKey of 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is GUJHEZCXPXHCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O3/c1-15-23-25-27(24-15)21-11-16-8-17(12-21)10-20(9-16,14-21)13-18(28)22-3-2-19(29)26-4-6-30-7-5-26/h16-17H,2-14H2,1H3,(H,22,28).
What are the key properties of 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 46957202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).