4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide

C13H18N2O4 — CID 106099007

IUPAC4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2(O)CCOC2)ccc1N
InChIInChI=1S/C13H18N2O4/c1-18-11-6-9(2-3-10(11)14)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyORDLZAUIYBILFY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.16
Rot. Bonds4

About 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide

4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide (PubChem CID 106099007) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
PubChem CID106099007
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2(O)CCOC2)ccc1N
InChIInChI=1S/C13H18N2O4/c1-18-11-6-9(2-3-10(11)14)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyORDLZAUIYBILFY-UHFFFAOYSA-N
XLogP0.16
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
CID 103849817
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103849205

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide (CID 106099007) is 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NCC2(O)CCOC2)ccc1N.
What is the InChIKey of 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide?
The InChIKey is ORDLZAUIYBILFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-11-6-9(2-3-10(11)14)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide?
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide has a molecular weight of 266.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 106099007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).