N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide

C17H18N2O4 — CID 108507539

IUPACN'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C17H18N2O4/c20-15-8-2-5-12-13(15)6-1-7-14(12)19-17(22)16(21)18-10-11-4-3-9-23-11/h1-2,5-8,11,20H,3-4,9-10H2,(H,18,21)(H,19,22)
InChIKeyCTTHFNSZYNYEQV-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.78
Rot. Bonds3

About N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide

N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 108507539) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID108507539
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C17H18N2O4/c20-15-8-2-5-12-13(15)6-1-7-14(12)19-17(22)16(21)18-10-11-4-3-9-23-11/h1-2,5-8,11,20H,3-4,9-10H2,(H,18,21)(H,19,22)
InChIKeyCTTHFNSZYNYEQV-UHFFFAOYSA-N
XLogP1.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 86995334
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2274084
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633

Frequently Asked Questions

What is the IUPAC name of N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide (CID 108507539) is N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is CTTHFNSZYNYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-8-2-5-12-13(15)6-1-7-14(12)19-17(22)16(21)18-10-11-4-3-9-23-11/h1-2,5-8,11,20H,3-4,9-10H2,(H,18,21)(H,19,22).
What are the key properties of N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 314.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 108507539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).