N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide

C19H27NO3 — CID 111481019

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C19H27NO3/c1-12-3-4-16(23-12)18(2,22)11-20-17(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15,22H,5-11H2,1-2H3,(H,20,21)
InChIKeyOHHJFRDVYLRCPQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.13
Rot. Bonds4

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide (PubChem CID 111481019) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide
PubChem CID111481019
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C19H27NO3/c1-12-3-4-16(23-12)18(2,22)11-20-17(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15,22H,5-11H2,1-2H3,(H,20,21)
InChIKeyOHHJFRDVYLRCPQ-UHFFFAOYSA-N
XLogP3.13
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481385
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 75361888
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 111481571
2-(1-hydroxycyclopentyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111912231
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111482880
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
CID 96518695
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,4-dimethylbenzamide
CID 111481218

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide (CID 111481019) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide is Cc1ccc(C(C)(O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide?
The InChIKey is OHHJFRDVYLRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-12-3-4-16(23-12)18(2,22)11-20-17(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15,22H,5-11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide is sourced from PubChem (CID 111481019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).