2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

C13H21N3O2 — CID 107075161

IUPAC2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-9(2)16(3)7-6-15-13(18)11-8-10(17)4-5-12(11)14/h4-5,8-9,17H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyXLNFPCXVUNVVMJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds5

About 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 107075161) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID107075161
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-9(2)16(3)7-6-15-13(18)11-8-10(17)4-5-12(11)14/h4-5,8-9,17H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyXLNFPCXVUNVVMJ-UHFFFAOYSA-N
XLogP1.04
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
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

5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
2-amino-N-(2-ethoxypropyl)-5-hydroxybenzamide
CID 107076037
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
2-amino-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 107075849

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (CID 107075161) is 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is CC(C)N(C)CCNC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is XLNFPCXVUNVVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16(3)7-6-15-13(18)11-8-10(17)4-5-12(11)14/h4-5,8-9,17H,6-7,14H2,1-3H3,(H,15,18).
What are the key properties of 2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.04, 5 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-[methyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 107075161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).