2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide

C14H18N2O5 — CID 106102823

IUPAC2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C14H18N2O5/c15-13(18)10-3-1-2-4-11(10)21-7-12(17)16-8-14(19)5-6-20-9-14/h1-4,19H,5-9H2,(H2,15,18)(H,16,17)
InChIKeyJRGIWFQCVLVUPC-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.57
Rot. Bonds6

About 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide

2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide (PubChem CID 106102823) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide
PubChem CID106102823
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C14H18N2O5/c15-13(18)10-3-1-2-4-11(10)21-7-12(17)16-8-14(19)5-6-20-9-14/h1-4,19H,5-9H2,(H2,15,18)(H,16,17)
InChIKeyJRGIWFQCVLVUPC-UHFFFAOYSA-N
XLogP-0.57
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129397646
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
CID 103849206
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129358023
2-[(1-hydroxycyclohexyl)methoxy]benzamide
CID 65213697
3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 126851273
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide (CID 106102823) is 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide?
The InChIKey is JRGIWFQCVLVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c15-13(18)10-3-1-2-4-11(10)21-7-12(17)16-8-14(19)5-6-20-9-14/h1-4,19H,5-9H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide?
2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide has a molecular weight of 294.31 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 106102823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).