2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide

C14H22N2O4 — CID 70098352

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(N)c(C(=O)NCC(C)(C)O)c1
InChIInChI=1S/C14H22N2O4/c1-14(2,18)9-16-13(17)11-8-10(4-5-12(11)15)20-7-6-19-3/h4-5,8,18H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyRIBUSISLFXLAHN-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.79
Rot. Bonds7

About 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide

2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide (PubChem CID 70098352) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
PubChem CID70098352
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(N)c(C(=O)NCC(C)(C)O)c1
InChIInChI=1S/C14H22N2O4/c1-14(2,18)9-16-13(17)11-8-10(4-5-12(11)15)20-7-6-19-3/h4-5,8,18H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyRIBUSISLFXLAHN-UHFFFAOYSA-N
XLogP0.79
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
CID 66169982
2-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65103861
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
2-amino-5-(2-hydroxyethoxy)-N-methylbenzamide
CID 70096875
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide
CID 151161716
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63863359
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide (CID 70098352) is 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide is COCCOc1ccc(N)c(C(=O)NCC(C)(C)O)c1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide?
The InChIKey is RIBUSISLFXLAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,18)9-16-13(17)11-8-10(4-5-12(11)15)20-7-6-19-3/h4-5,8,18H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide has a molecular weight of 282.34 g/mol, XLogP of 0.79, 7 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-2-methylpropyl)-5-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 70098352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).