2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide

C14H20N2O5 — CID 106099011

IUPAC2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NCC2(O)CCOC2)cc1OC
InChIInChI=1S/C14H20N2O5/c1-19-11-5-9(10(15)6-12(11)20-2)13(17)16-7-14(18)3-4-21-8-14/h5-6,18H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyHVCDSAJOAZPCPJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.17
Rot. Bonds5

About 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide

2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide (PubChem CID 106099011) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
PubChem CID106099011
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NCC2(O)CCOC2)cc1OC
InChIInChI=1S/C14H20N2O5/c1-19-11-5-9(10(15)6-12(11)20-2)13(17)16-7-14(18)3-4-21-8-14/h5-6,18H,3-4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyHVCDSAJOAZPCPJ-UHFFFAOYSA-N
XLogP0.17
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
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
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
CID 129397711
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide (CID 106099011) is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)NCC2(O)CCOC2)cc1OC.
What is the InChIKey of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide?
The InChIKey is HVCDSAJOAZPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-19-11-5-9(10(15)6-12(11)20-2)13(17)16-7-14(18)3-4-21-8-14/h5-6,18H,3-4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide?
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide has a molecular weight of 296.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 106099011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).