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

C16H24N2O4 — CID 110166096

IUPAC4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H]2O)c(O)c1
InChIInChI=1S/C16H24N2O4/c1-3-18(4-2)10-5-6-11(14(20)9-10)16(22)17-12-7-8-13(19)15(12)21/h5-6,9,12-13,15,19-21H,3-4,7-8H2,1-2H3,(H,17,22)/t12-,13-,15-/m1/s1
InChIKeyWWDOBFXDVFPLCJ-UMVBOHGHSA-N
MW308.38 g/mol
LogP0.85
Rot. Bonds5

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

4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide (PubChem CID 110166096) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide
PubChem CID110166096
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H]2O)c(O)c1
InChIInChI=1S/C16H24N2O4/c1-3-18(4-2)10-5-6-11(14(20)9-10)16(22)17-12-7-8-13(19)15(12)21/h5-6,9,12-13,15,19-21H,3-4,7-8H2,1-2H3,(H,17,22)/t12-,13-,15-/m1/s1
InChIKeyWWDOBFXDVFPLCJ-UMVBOHGHSA-N
XLogP0.85
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide?
The IUPAC name of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide (CID 110166096) is 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide?
The canonical SMILES for 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide is CCN(CC)c1ccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H]2O)c(O)c1.
What is the InChIKey of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide?
The InChIKey is WWDOBFXDVFPLCJ-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-18(4-2)10-5-6-11(14(20)9-10)16(22)17-12-7-8-13(19)15(12)21/h5-6,9,12-13,15,19-21H,3-4,7-8H2,1-2H3,(H,17,22)/t12-,13-,15-/m1/s1.
What are the key properties of 4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide?
4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 0.85, 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-dihydroxycyclopentyl]-2-hydroxybenzamide is sourced from PubChem (CID 110166096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).