N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide

C12H18N2O4 — CID 106180071

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOCC(CN)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C12H18N2O4/c1-17-7-8(6-13)14-12(16)10-5-9(18-2)3-4-11(10)15/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyUNFQMTJVYIZIBE-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.10
Rot. Bonds6

About N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide

N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 106180071) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID106180071
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOCC(CN)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C12H18N2O4/c1-17-7-8(6-13)14-12(16)10-5-9(18-2)3-4-11(10)15/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyUNFQMTJVYIZIBE-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide (CID 106180071) is N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide is COCC(CN)NC(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is UNFQMTJVYIZIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-7-8(6-13)14-12(16)10-5-9(18-2)3-4-11(10)15/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide?
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 254.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 106180071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).