N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C16H21NO2 — CID 106122427

IUPACN-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCC1CCC(O)CC1)C1Cc2ccccc21
InChIInChI=1S/C16H21NO2/c18-13-7-5-11(6-8-13)10-17-16(19)15-9-12-3-1-2-4-14(12)15/h1-4,11,13,15,18H,5-10H2,(H,17,19)
InChIKeyHRYGFHYAPVKPCF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.99
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 106122427) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID106122427
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCC1CCC(O)CC1)C1Cc2ccccc21
InChIInChI=1S/C16H21NO2/c18-13-7-5-11(6-8-13)10-17-16(19)15-9-12-3-1-2-4-14(12)15/h1-4,11,13,15,18H,5-10H2,(H,17,19)
InChIKeyHRYGFHYAPVKPCF-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394395
N-[(2-bromocyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113275363
2-[(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 66394350
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-(2-amino-2-sulfanylideneethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394762
N-(2,2-dimethoxyethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395346
N-[(2R)-2-hydroxypropyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 83032513
N-(4-hydroxybutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106843816
N-(2-chloropropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114296152

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 106122427) is N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(NCC1CCC(O)CC1)C1Cc2ccccc21.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is HRYGFHYAPVKPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-13-7-5-11(6-8-13)10-17-16(19)15-9-12-3-1-2-4-14(12)15/h1-4,11,13,15,18H,5-10H2,(H,17,19).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 106122427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).