3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C26H36N4O2 — CID 3220684

IUPAC3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H36N4O2/c31-24(29-26-13-18-8-19(14-26)10-20(9-18)15-26)28-21-11-22-6-7-23(12-21)30(22)25(32)27-16-17-4-2-1-3-5-17/h1-5,18-23H,6-16H2,(H,27,32)(H2,28,29,31)
InChIKeyRPVNZAWBIAKSTB-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.16
Rot. Bonds4

About 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide

3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3220684) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3220684
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C(=O)NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H36N4O2/c31-24(29-26-13-18-8-19(14-26)10-20(9-18)15-26)28-21-11-22-6-7-23(12-21)30(22)25(32)27-16-17-4-2-1-3-5-17/h1-5,18-23H,6-16H2,(H,27,32)(H2,28,29,31)
InChIKeyRPVNZAWBIAKSTB-UHFFFAOYSA-N
XLogP4.16
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
1-adamantan-1-yl-3-((R)-1-phenyl-ethyl)-urea
CID 44419692
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
1-(1-Adamantyl)-3-benzylurea
CID 3758167
3-(1-Benzylpiperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 11718536
1-Benzyl-1-methyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125470
3-(1-(3-Methylbenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16125683
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-ylmethyl)-urea
CID 24849909
3-(1-Benzyl-tropin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 44420821
N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide
CID 71559639
1-(1-Adamantyl)-3-[(4-methylphenyl)methyl]urea
CID 5237347
3-(1-Benzyl-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16125373

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 3220684) is 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC1CC2CCC(C1)N2C(=O)NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is RPVNZAWBIAKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c31-24(29-26-13-18-8-19(14-26)10-20(9-18)15-26)28-21-11-22-6-7-23(12-21)30(22)25(32)27-16-17-4-2-1-3-5-17/h1-5,18-23H,6-16H2,(H,27,32)(H2,28,29,31).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-benzyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3220684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).