N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide

C15H20N2O4 — CID 110158776

IUPACN-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20N2O4/c18-12-8-4-7-11(14(12)20)17-13(19)9-16-15(21)10-5-2-1-3-6-10/h1-3,5-6,11-12,14,18,20H,4,7-9H2,(H,16,21)(H,17,19)/t11-,12-,14-/m1/s1
InChIKeyKGZGVZPFKQKELN-YRGRVCCFSA-N
MW292.33 g/mol
LogP-0.19
Rot. Bonds4

About N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide

N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide (PubChem CID 110158776) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
PubChem CID110158776
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20N2O4/c18-12-8-4-7-11(14(12)20)17-13(19)9-16-15(21)10-5-2-1-3-6-10/h1-3,5-6,11-12,14,18,20H,4,7-9H2,(H,16,21)(H,17,19)/t11-,12-,14-/m1/s1
InChIKeyKGZGVZPFKQKELN-YRGRVCCFSA-N
XLogP-0.19
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide (CID 110158776) is N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)N[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
The InChIKey is KGZGVZPFKQKELN-YRGRVCCFSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-12-8-4-7-11(14(12)20)17-13(19)9-16-15(21)10-5-2-1-3-6-10/h1-3,5-6,11-12,14,18,20H,4,7-9H2,(H,16,21)(H,17,19)/t11-,12-,14-/m1/s1.
What are the key properties of N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide has a molecular weight of 292.33 g/mol, XLogP of -0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110158776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).