2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide

C12H18N2O4 — CID 66169982

IUPAC2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)(O)CO)c1
InChIInChI=1S/C12H18N2O4/c1-12(17,7-15)6-14-11(16)9-5-8(18-2)3-4-10(9)13/h3-5,15,17H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyPYJNGIJKGPVEFF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.25
Rot. Bonds5

About 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide

2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide (PubChem CID 66169982) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
PubChem CID66169982
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)(O)CO)c1
InChIInChI=1S/C12H18N2O4/c1-12(17,7-15)6-14-11(16)9-5-8(18-2)3-4-10(9)13/h3-5,15,17H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyPYJNGIJKGPVEFF-UHFFFAOYSA-N
XLogP-0.25
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63863359
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
CID 70098352
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide (CID 66169982) is 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCC(C)(O)CO)c1.
What is the InChIKey of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide?
The InChIKey is PYJNGIJKGPVEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(17,7-15)6-14-11(16)9-5-8(18-2)3-4-10(9)13/h3-5,15,17H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide?
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide has a molecular weight of 254.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide is sourced from PubChem (CID 66169982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).