2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

C12H18N2O3 — CID 107074136

IUPAC2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H18N2O3/c1-8(2)14(5-6-15)12(17)10-7-9(16)3-4-11(10)13/h3-4,7-8,15-16H,5-6,13H2,1-2H3
InChIKeyCXDPLHDPHCJKQK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.82
Rot. Bonds4

About 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (PubChem CID 107074136) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
PubChem CID107074136
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H18N2O3/c1-8(2)14(5-6-15)12(17)10-7-9(16)3-4-11(10)13/h3-4,7-8,15-16H,5-6,13H2,1-2H3
InChIKeyCXDPLHDPHCJKQK-UHFFFAOYSA-N
XLogP0.82
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
2-amino-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
CID 62186189
2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 107074573
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
N-(2-bromoethyl)-2-chloro-5-hydroxy-N-propan-2-ylbenzamide
CID 106503099
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
CID 112750807
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
N-(2-chloroethyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107725804
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43573260
N-(3-amino-3-sulfanylidenepropyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107722079

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (CID 107074136) is 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is CXDPLHDPHCJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)14(5-6-15)12(17)10-7-9(16)3-4-11(10)13/h3-4,7-8,15-16H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 107074136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).