N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide

C20H29NO — CID 98130254

IUPACN-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29NO/c22-19(20-7-11-1-12(8-20)3-13(2-11)9-20)21-10-15-4-14-5-16(15)18-6-17(14)18/h11-18H,1-10H2,(H,21,22)/t11?,12?,13?,14-,15-,16+,17-,18-,20?/m1/s1
InChIKeyJAZKDACWVNPJNO-HHFPPGDQSA-N
MW299.46 g/mol
LogP3.61
Rot. Bonds3

About N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide

N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide (PubChem CID 98130254) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide
PubChem CID98130254
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29NO/c22-19(20-7-11-1-12(8-20)3-13(2-11)9-20)21-10-15-4-14-5-16(15)18-6-17(14)18/h11-18H,1-10H2,(H,21,22)/t11?,12?,13?,14-,15-,16+,17-,18-,20?/m1/s1
InChIKeyJAZKDACWVNPJNO-HHFPPGDQSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
N-(pyrrolidin-2-ylmethyl)adamantane-1-carboxamide
CID 62541274
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]adamantane-1-carboxamide
CID 41412201
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
CID 61126891
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 75361888
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
N-(piperidin-3-ylmethyl)adamantane-1-carboxamide;hydrochloride
CID 119462908
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)adamantane-1-carboxamide
CID 90635166

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide (CID 98130254) is N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide is O=C(NC[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide?
The InChIKey is JAZKDACWVNPJNO-HHFPPGDQSA-N. The full InChI is InChI=1S/C20H29NO/c22-19(20-7-11-1-12(8-20)3-13(2-11)9-20)21-10-15-4-14-5-16(15)18-6-17(14)18/h11-18H,1-10H2,(H,21,22)/t11?,12?,13?,14-,15-,16+,17-,18-,20?/m1/s1.
What are the key properties of N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide?
N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide has a molecular weight of 299.46 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 98130254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).