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

C13H16N2O3 — CID 90581329

IUPACN'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
SMILESNC(=O)C(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c14-11(16)12(17)15-8-13(18)6-5-9-3-1-2-4-10(9)7-13/h1-4,18H,5-8H2,(H2,14,16)(H,15,17)
InChIKeyYDUMFBMVMVXLBJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.49
Rot. Bonds2

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

N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide (PubChem CID 90581329) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
PubChem CID90581329
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
SMILESNC(=O)C(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c14-11(16)12(17)15-8-13(18)6-5-9-3-1-2-4-10(9)7-13/h1-4,18H,5-8H2,(H2,14,16)(H,15,17)
InChIKeyYDUMFBMVMVXLBJ-UHFFFAOYSA-N
XLogP-0.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
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
N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581292
N'-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042696
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90581299
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042608
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042609
3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]adamantane-1-carboxamide
CID 97042620
1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
CID 90581348
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
CID 97042651

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
The IUPAC name of N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide (CID 90581329) is N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
The canonical SMILES for N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide is NC(=O)C(=O)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
The InChIKey is YDUMFBMVMVXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-11(16)12(17)15-8-13(18)6-5-9-3-1-2-4-10(9)7-13/h1-4,18H,5-8H2,(H2,14,16)(H,15,17).
What are the key properties of N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide?
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide has a molecular weight of 248.28 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide is sourced from PubChem (CID 90581329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).