3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide

C14H20N2O3 — CID 144778443

IUPAC3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide
SMILESCCN(c1cccc(C(N)=O)c1C)[C@H]1C[C@H](O)CO1
InChIInChI=1S/C14H20N2O3/c1-3-16(13-7-10(17)8-19-13)12-6-4-5-11(9(12)2)14(15)18/h4-6,10,13,17H,3,7-8H2,1-2H3,(H2,15,18)/t10-,13+/m0/s1
InChIKeyDNBNGPNZEXGUIC-GXFFZTMASA-N
MW264.32 g/mol
LogP1.03
Rot. Bonds4

About 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide

3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide (PubChem CID 144778443) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide
PubChem CID144778443
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide
SMILESCCN(c1cccc(C(N)=O)c1C)[C@H]1C[C@H](O)CO1
InChIInChI=1S/C14H20N2O3/c1-3-16(13-7-10(17)8-19-13)12-6-4-5-11(9(12)2)14(15)18/h4-6,10,13,17H,3,7-8H2,1-2H3,(H2,15,18)/t10-,13+/m0/s1
InChIKeyDNBNGPNZEXGUIC-GXFFZTMASA-N
XLogP1.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide?
The IUPAC name of 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide (CID 144778443) is 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide is CCN(c1cccc(C(N)=O)c1C)[C@H]1C[C@H](O)CO1.
What is the InChIKey of 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide?
The InChIKey is DNBNGPNZEXGUIC-GXFFZTMASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(13-7-10(17)8-19-13)12-6-4-5-11(9(12)2)14(15)18/h4-6,10,13,17H,3,7-8H2,1-2H3,(H2,15,18)/t10-,13+/m0/s1.
What are the key properties of 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide?
3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2R,4S)-4-hydroxyoxolan-2-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 144778443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).