2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide

C12H18N2O4 — CID 113305193

IUPAC2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
SMILESCOCC(O)CNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H18N2O4/c1-17-7-8(15)6-14-12(16)10-4-3-9(18-2)5-11(10)13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyXSEAFPXSLBYFNG-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.01
Rot. Bonds6

About 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide

2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide (PubChem CID 113305193) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
PubChem CID113305193
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
SMILESCOCC(O)CNC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C12H18N2O4/c1-17-7-8(15)6-14-12(16)10-4-3-9(18-2)5-11(10)13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyXSEAFPXSLBYFNG-UHFFFAOYSA-N
XLogP0.01
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.01
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

methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide (CID 113305193) is 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide is COCC(O)CNC(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide?
The InChIKey is XSEAFPXSLBYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-7-8(15)6-14-12(16)10-4-3-9(18-2)5-11(10)13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide?
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide has a molecular weight of 254.29 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide is sourced from PubChem (CID 113305193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).