N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide

C22H29NO2 — CID 97042620

IUPACN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO2/c24-20(21-10-15-7-16(11-21)9-17(8-15)12-21)23-14-22(25)6-5-18-3-1-2-4-19(18)13-22/h1-4,15-17,25H,5-14H2,(H,23,24)/t15?,16?,17?,21?,22-/m1/s1
InChIKeyJWLVUVNQYWIVHH-LLEDGLJBSA-N
MW339.48 g/mol
LogP3.24
Rot. Bonds3

About N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide

N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide (PubChem CID 97042620) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide
PubChem CID97042620
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29NO2/c24-20(21-10-15-7-16(11-21)9-17(8-15)12-21)23-14-22(25)6-5-18-3-1-2-4-19(18)13-22/h1-4,15-17,25H,5-14H2,(H,23,24)/t15?,16?,17?,21?,22-/m1/s1
InChIKeyJWLVUVNQYWIVHH-LLEDGLJBSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide (CID 97042620) is N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide is O=C(NC[C@@]1(O)CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide?
The InChIKey is JWLVUVNQYWIVHH-LLEDGLJBSA-N. The full InChI is InChI=1S/C22H29NO2/c24-20(21-10-15-7-16(11-21)9-17(8-15)12-21)23-14-22(25)6-5-18-3-1-2-4-19(18)13-22/h1-4,15-17,25H,5-14H2,(H,23,24)/t15?,16?,17?,21?,22-/m1/s1.
What are the key properties of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide?
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 97042620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).