2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate

C13H13NO4 — CID 79346430

IUPAC2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
SMILESO=C(Nc1cccc2c(O)cccc12)OCCO
InChIInChI=1S/C13H13NO4/c15-7-8-18-13(17)14-11-5-1-4-10-9(11)3-2-6-12(10)16/h1-6,15-16H,7-8H2,(H,14,17)
InChIKeyNOCDCOUWYYDFAF-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.09
Rot. Bonds3

About 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate

2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate (PubChem CID 79346430) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
PubChem CID79346430
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
SMILESO=C(Nc1cccc2c(O)cccc12)OCCO
InChIInChI=1S/C13H13NO4/c15-7-8-18-13(17)14-11-5-1-4-10-9(11)3-2-6-12(10)16/h1-6,15-16H,7-8H2,(H,14,17)
InChIKeyNOCDCOUWYYDFAF-UHFFFAOYSA-N
XLogP2.09
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
4-methoxybutyl N-[5-(4-methoxybutoxycarbonylamino)naphthalen-1-yl]carbamate
CID 86204036
2-(2-aminoethoxy)-N-(5-hydroxynaphthalen-1-yl)acetamide
CID 79473649
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
2-amino-N-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]acetamide
CID 60849261

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate (CID 79346430) is 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate is O=C(Nc1cccc2c(O)cccc12)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate?
The InChIKey is NOCDCOUWYYDFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-7-8-18-13(17)14-11-5-1-4-10-9(11)3-2-6-12(10)16/h1-6,15-16H,7-8H2,(H,14,17).
What are the key properties of 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate?
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate has a molecular weight of 247.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate is sourced from PubChem (CID 79346430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).