N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide

C38H56N4O4 — CID 158944684

IUPACN-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide
SMILESO=C(NC12CCC(CC1)NC2=O)C12CC3CC(CC(C3)C1)C2.O=C(NC12CCCC(CCC1)NC2=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O2.C18H26N2O2/c23-17(19-10-13-7-14(11-19)9-15(8-13)12-19)22-20-5-1-3-16(4-2-6-20)21-18(20)24;21-15(20-18-3-1-14(2-4-18)19-16(18)22)17-8-11-5-12(9-17)7-13(6-11)10-17/h13-16H,1-12H2,(H,21,24)(H,22,23);11-14H,1-10H2,(H,19,22)(H,20,21)
InChIKeyJKRDTVLWPXDQIT-UHFFFAOYSA-N
MW632.89 g/mol
LogP5.04
Rot. Bonds4

About N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide

N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide (PubChem CID 158944684) has the molecular formula C38H56N4O4 and a molecular weight of 632.89 g/mol. Its IUPAC name is N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide
PubChem CID158944684
Molecular FormulaC38H56N4O4
Molecular Weight632.89 g/mol
Exact Mass632.43
IUPAC NameN-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide
SMILESO=C(NC12CCC(CC1)NC2=O)C12CC3CC(CC(C3)C1)C2.O=C(NC12CCCC(CCC1)NC2=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O2.C18H26N2O2/c23-17(19-10-13-7-14(11-19)9-15(8-13)12-19)22-20-5-1-3-16(4-2-6-20)21-18(20)24;21-15(20-18-3-1-14(2-4-18)19-16(18)22)17-8-11-5-12(9-17)7-13(6-11)10-17/h13-16H,1-12H2,(H,21,24)(H,22,23);11-14H,1-10H2,(H,19,22)(H,20,21)
InChIKeyJKRDTVLWPXDQIT-UHFFFAOYSA-N
XLogP5.04
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.89
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide with MolForge

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]adamantane-1-carboxamide
CID 62518725
1-(adamantane-1-carbonylamino)cyclohexane-1-carboxylate
CID 7128717
N-(3,5-dimethyl-1-adamantyl)adamantane-1-carboxamide
CID 171577279
N-[4-(adamantane-1-carbonylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]adamantane-1-carboxamide
CID 171722406
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423
N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
CID 62541274
N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 3641175
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.1]heptane-1,4-dicarboxamide
CID 171722498
N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 95984977
1-(adamantane-1-carbonyl)piperidin-2-one
CID 153488108
(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 6939296
N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
CID 122566890

Frequently Asked Questions

What is the IUPAC name of N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide?
The IUPAC name of N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide (CID 158944684) is N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide is O=C(NC12CCC(CC1)NC2=O)C12CC3CC(CC(C3)C1)C2.O=C(NC12CCCC(CCC1)NC2=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide?
The InChIKey is JKRDTVLWPXDQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.C18H26N2O2/c23-17(19-10-13-7-14(11-19)9-15(8-13)12-19)22-20-5-1-3-16(4-2-6-20)21-18(20)24;21-15(20-18-3-1-14(2-4-18)19-16(18)22)17-8-11-5-12(9-17)7-13(6-11)10-17/h13-16H,1-12H2,(H,21,24)(H,22,23);11-14H,1-10H2,(H,19,22)(H,20,21).
What are the key properties of N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide?
N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide has a molecular weight of 632.89 g/mol, XLogP of 5.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-oxo-9-azabicyclo[3.3.2]decan-5-yl)adamantane-1-carboxamide;N-(3-oxo-2-azabicyclo[2.2.2]octan-4-yl)adamantane-1-carboxamide is sourced from PubChem (CID 158944684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).