(1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide

C21H23NO3 — CID 135102555

IUPAC(1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NC2c3ccccc3-c3ccccc32)CC[C@@H]1O
InChIInChI=1S/C21H23NO3/c1-25-19-12-13(10-11-18(19)23)21(24)22-20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20/h2-9,13,18-20,23H,10-12H2,1H3,(H,22,24)/t13-,18+,19-/m1/s1
InChIKeyPAQXESVZVBGLEK-ZNZDAUKMSA-N
MW337.42 g/mol
LogP3.05
Rot. Bonds3

About (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide

(1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide (PubChem CID 135102555) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide
PubChem CID135102555
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NC2c3ccccc3-c3ccccc32)CC[C@@H]1O
InChIInChI=1S/C21H23NO3/c1-25-19-12-13(10-11-18(19)23)21(24)22-20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20/h2-9,13,18-20,23H,10-12H2,1H3,(H,22,24)/t13-,18+,19-/m1/s1
InChIKeyPAQXESVZVBGLEK-ZNZDAUKMSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide
CID 135088329
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 135102017
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 135107590
(1S,3S,4R)-4-hydroxy-3-methoxycyclohexane-1-carboxylic acid
CID 139598760
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 135089831
1-cyclopentyl-N-(9H-fluoren-9-yl)-6-oxopiperidine-3-carboxamide
CID 45169972
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 135106333
(1R,3R,4S)-N-[(3,5-difluorophenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135096509
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 135114422
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
CID 135105960
4-hydroxy-3-phenylmethoxycyclohexane-1-carboxylic acid;4-methoxy-3-phenylmethoxycyclohexane-1-carboxylic acid
CID 91423827

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide (CID 135102555) is (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide is CO[C@@H]1C[C@H](C(=O)NC2c3ccccc3-c3ccccc32)CC[C@@H]1O.
What is the InChIKey of (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide?
The InChIKey is PAQXESVZVBGLEK-ZNZDAUKMSA-N. The full InChI is InChI=1S/C21H23NO3/c1-25-19-12-13(10-11-18(19)23)21(24)22-20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20/h2-9,13,18-20,23H,10-12H2,1H3,(H,22,24)/t13-,18+,19-/m1/s1.
What are the key properties of (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide?
(1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 135102555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).