1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide

C17H19NO5 — CID 86144137

IUPAC1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1(O)CC(O)C(O)C(O)C1
InChIInChI=1S/C17H19NO5/c19-13-8-17(23,9-14(20)15(13)21)16(22)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-15,19-21,23H,8-9H2,(H,18,22)
InChIKeyYLTNZNIYECQUNM-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.39
Rot. Bonds2

About 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide

1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide (PubChem CID 86144137) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide
PubChem CID86144137
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1(O)CC(O)C(O)C(O)C1
InChIInChI=1S/C17H19NO5/c19-13-8-17(23,9-14(20)15(13)21)16(22)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-15,19-21,23H,8-9H2,(H,18,22)
InChIKeyYLTNZNIYECQUNM-UHFFFAOYSA-N
XLogP0.39
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(3R,5R)-1,3,4,5-tetrahydroxy-N-(naphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 151101293
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide
CID 142413600
1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate
CID 67868291
N-naphthalen-1-yl-9H-fluorene-9-carboxamide
CID 3820990
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide?
The IUPAC name of 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide (CID 86144137) is 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide is O=C(Nc1cccc2ccccc12)C1(O)CC(O)C(O)C(O)C1.
What is the InChIKey of 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide?
The InChIKey is YLTNZNIYECQUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c19-13-8-17(23,9-14(20)15(13)21)16(22)18-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-15,19-21,23H,8-9H2,(H,18,22).
What are the key properties of 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide?
1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 0.39, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetrahydroxy-N-naphthalen-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 86144137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).