4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide

C17H26N2O4 — CID 110166111

IUPAC4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c(O)c1
InChIInChI=1S/C17H26N2O4/c1-3-19(4-2)11-8-9-12(15(21)10-11)17(23)18-13-6-5-7-14(20)16(13)22/h8-10,13-14,16,20-22H,3-7H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1
InChIKeyMIFYCZBWHPIOCH-IIAWOOMASA-N
MW322.41 g/mol
LogP1.24
Rot. Bonds5

About 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide

4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide (PubChem CID 110166111) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide
PubChem CID110166111
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c(O)c1
InChIInChI=1S/C17H26N2O4/c1-3-19(4-2)11-8-9-12(15(21)10-11)17(23)18-13-6-5-7-14(20)16(13)22/h8-10,13-14,16,20-22H,3-7H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1
InChIKeyMIFYCZBWHPIOCH-IIAWOOMASA-N
XLogP1.24
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide
CID 110166096
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
CID 110166110
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
4-bromo-N-[(1R,2S,3R)-2,3-dihydroxycyclohexyl]-2,5-dimethylbenzamide
CID 166315871
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
4-fluoro-2-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 103888808
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide?
The IUPAC name of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide (CID 110166111) is 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide?
The canonical SMILES for 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide is CCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c(O)c1.
What is the InChIKey of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide?
The InChIKey is MIFYCZBWHPIOCH-IIAWOOMASA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-19(4-2)11-8-9-12(15(21)10-11)17(23)18-13-6-5-7-14(20)16(13)22/h8-10,13-14,16,20-22H,3-7H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1.
What are the key properties of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide?
4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-hydroxybenzamide is sourced from PubChem (CID 110166111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).