N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide

C16H21NO3 — CID 99795360

IUPACN-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2c(O)cccc21)C1CCOCC1
InChIInChI=1S/C16H21NO3/c18-15-6-2-3-12-13(15)4-1-5-14(12)17-16(19)11-7-9-20-10-8-11/h2-3,6,11,14,18H,1,4-5,7-10H2,(H,17,19)/t14-/m1/s1
InChIKeyFCZYLEWLFRZSQC-CQSZACIVSA-N
MW275.35 g/mol
LogP2.31
Rot. Bonds2

About N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide

N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide (PubChem CID 99795360) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
PubChem CID99795360
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2c(O)cccc21)C1CCOCC1
InChIInChI=1S/C16H21NO3/c18-15-6-2-3-12-13(15)4-1-5-14(12)17-16(19)11-7-9-20-10-8-11/h2-3,6,11,14,18H,1,4-5,7-10H2,(H,17,19)/t14-/m1/s1
InChIKeyFCZYLEWLFRZSQC-CQSZACIVSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide
CID 166215337
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 96517030
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 126776325
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99795365
ethyl (3S)-3-hydroxy-4-[[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutanoate
CID 124729299
4-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674707
N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
CID 99795973
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 126786285

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide?
The IUPAC name of N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide (CID 99795360) is N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide is O=C(N[C@@H]1CCCc2c(O)cccc21)C1CCOCC1.
What is the InChIKey of N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide?
The InChIKey is FCZYLEWLFRZSQC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15-6-2-3-12-13(15)4-1-5-14(12)17-16(19)11-7-9-20-10-8-11/h2-3,6,11,14,18H,1,4-5,7-10H2,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide?
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide is sourced from PubChem (CID 99795360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).