N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide

C18H25NO3 — CID 111110506

IUPACN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC1(O)CCCc2ccccc21
InChIInChI=1S/C18H25NO3/c20-17(10-9-15-7-4-12-22-15)19-13-18(21)11-3-6-14-5-1-2-8-16(14)18/h1-2,5,8,15,21H,3-4,6-7,9-13H2,(H,19,20)
InChIKeyKRFRNBXJSXYDDU-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.29
Rot. Bonds5

About N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 111110506) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
PubChem CID111110506
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC1(O)CCCc2ccccc21
InChIInChI=1S/C18H25NO3/c20-17(10-9-15-7-4-12-22-15)19-13-18(21)11-3-6-14-5-1-2-8-16(14)18/h1-2,5,8,15,21H,3-4,6-7,9-13H2,(H,19,20)
InChIKeyKRFRNBXJSXYDDU-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(oxolan-2-yl)propanamide
CID 103816964
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
CID 111540494
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
CID 103970098
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
CID 60992597
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
CID 166217261
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 47874897
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(oxan-2-yl)propanamide
CID 63952367
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
CID 115365479

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide (CID 111110506) is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NCC1(O)CCCc2ccccc21.
What is the InChIKey of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is KRFRNBXJSXYDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(10-9-15-7-4-12-22-15)19-13-18(21)11-3-6-14-5-1-2-8-16(14)18/h1-2,5,8,15,21H,3-4,6-7,9-13H2,(H,19,20).
What are the key properties of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide?
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 111110506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).