2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate

C17H20N2O4 — CID 20778426

IUPAC2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate
SMILESCNC(=O)c1ccc2c(NC(=O)OCC(C)C)cccc2c1O
InChIInChI=1S/C17H20N2O4/c1-10(2)9-23-17(22)19-14-6-4-5-12-11(14)7-8-13(15(12)20)16(21)18-3/h4-8,10,20H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyVFAJVJMDJDEKNH-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.11
Rot. Bonds4

About 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate

2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate (PubChem CID 20778426) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate
PubChem CID20778426
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate
SMILESCNC(=O)c1ccc2c(NC(=O)OCC(C)C)cccc2c1O
InChIInChI=1S/C17H20N2O4/c1-10(2)9-23-17(22)19-14-6-4-5-12-11(14)7-8-13(15(12)20)16(21)18-3/h4-8,10,20H,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyVFAJVJMDJDEKNH-UHFFFAOYSA-N
XLogP3.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-[6-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]-5-hydroxynaphthalen-1-yl]carbamate
CID 18731365
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
2-methylpropyl N-(2-iodophenyl)carbamate
CID 546432
[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
CID 102238094
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430
4-methoxybutyl N-[5-(4-methoxybutoxycarbonylamino)naphthalen-1-yl]carbamate
CID 86204036
3-amino-N-methyl-2-(2-methylpropoxy)benzamide
CID 154814953
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate (CID 20778426) is 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate is CNC(=O)c1ccc2c(NC(=O)OCC(C)C)cccc2c1O.
What is the InChIKey of 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate?
The InChIKey is VFAJVJMDJDEKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10(2)9-23-17(22)19-14-6-4-5-12-11(14)7-8-13(15(12)20)16(21)18-3/h4-8,10,20H,9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate?
2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate has a molecular weight of 316.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[5-hydroxy-6-(methylcarbamoyl)naphthalen-1-yl]carbamate is sourced from PubChem (CID 20778426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).