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

C19H27NO2 — CID 90581058

IUPAC3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C19H27NO2/c21-18(10-9-15-5-1-2-6-15)20-14-19(22)12-11-16-7-3-4-8-17(16)13-19/h3-4,7-8,15,22H,1-2,5-6,9-14H2,(H,20,21)
InChIKeyQHCQGNFXFXCASN-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.99
Rot. Bonds5

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

3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide (PubChem CID 90581058) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide
PubChem CID90581058
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C19H27NO2/c21-18(10-9-15-5-1-2-6-15)20-14-19(22)12-11-16-7-3-4-8-17(16)13-19/h3-4,7-8,15,22H,1-2,5-6,9-14H2,(H,20,21)
InChIKeyQHCQGNFXFXCASN-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
2-[(cyclopentylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115002610
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042707
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042706
2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
CID 97105800
2-benzylsulfanyl-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
CID 97105801
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide
CID 97042620
2-(2-cyclohexylethyl)-1,3-dihydroinden-2-ol
CID 114191686
2-(4-fluorophenoxy)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]acetamide
CID 90581093

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide (CID 90581058) is 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide is O=C(CCC1CCCC1)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide?
The InChIKey is QHCQGNFXFXCASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18(10-9-15-5-1-2-6-15)20-14-19(22)12-11-16-7-3-4-8-17(16)13-19/h3-4,7-8,15,22H,1-2,5-6,9-14H2,(H,20,21).
What are the key properties of 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide?
3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide has a molecular weight of 301.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide is sourced from PubChem (CID 90581058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).