4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide

C14H18N2O4 — CID 136577715

IUPAC4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide
SMILESNC(=O)C1(CNC(=O)c2ccccc2O)CCOCC1
InChIInChI=1S/C14H18N2O4/c15-13(19)14(5-7-20-8-6-14)9-16-12(18)10-3-1-2-4-11(10)17/h1-4,17H,5-9H2,(H2,15,19)(H,16,18)
InChIKeyGVQMKRMDRJYFKK-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.40
Rot. Bonds4

About 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide

4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide (PubChem CID 136577715) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide
PubChem CID136577715
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide
SMILESNC(=O)C1(CNC(=O)c2ccccc2O)CCOCC1
InChIInChI=1S/C14H18N2O4/c15-13(19)14(5-7-20-8-6-14)9-16-12(18)10-3-1-2-4-11(10)17/h1-4,17H,5-9H2,(H2,15,19)(H,16,18)
InChIKeyGVQMKRMDRJYFKK-UHFFFAOYSA-N
XLogP0.40
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 136578278
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[(4-carbamoyloxan-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56817800
1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 56796959
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]oxane-4-carboxamide
CID 56795920
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541744
(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94448404

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide (CID 136577715) is 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide is NC(=O)C1(CNC(=O)c2ccccc2O)CCOCC1.
What is the InChIKey of 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide?
The InChIKey is GVQMKRMDRJYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-13(19)14(5-7-20-8-6-14)9-16-12(18)10-3-1-2-4-11(10)17/h1-4,17H,5-9H2,(H2,15,19)(H,16,18).
What are the key properties of 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide?
4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 136577715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).