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

C11H14N2O5 — CID 107261323

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)C(N)=O)c(O)c1
InChIInChI=1S/C11H14N2O5/c1-18-6-2-3-7(8(14)4-6)11(17)13-5-9(15)10(12)16/h2-4,9,14-15H,5H2,1H3,(H2,12,16)(H,13,17)
InChIKeyCZQDOYCNYIZLPK-UHFFFAOYSA-N
MW254.24 g/mol
LogP-1.02
Rot. Bonds5

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

N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 107261323) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
PubChem CID107261323
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)C(N)=O)c(O)c1
InChIInChI=1S/C11H14N2O5/c1-18-6-2-3-7(8(14)4-6)11(17)13-5-9(15)10(12)16/h2-4,9,14-15H,5H2,1H3,(H2,12,16)(H,13,17)
InChIKeyCZQDOYCNYIZLPK-UHFFFAOYSA-N
XLogP-1.02
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
CID 64540805
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
CID 106171414
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide (CID 107261323) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)C(N)=O)c(O)c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is CZQDOYCNYIZLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-18-6-2-3-7(8(14)4-6)11(17)13-5-9(15)10(12)16/h2-4,9,14-15H,5H2,1H3,(H2,12,16)(H,13,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 254.24 g/mol, XLogP of -1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 107261323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).