4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide

C14H23N3O2 — CID 106140800

IUPAC4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NCC(C)(C)CCO
InChIInChI=1S/C14H23N3O2/c1-14(2,6-7-18)9-17-12-8-10(15)4-5-11(12)13(19)16-3/h4-5,8,17-18H,6-7,9,15H2,1-3H3,(H,16,19)
InChIKeyQGFINZNIRDMYQO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.45
Rot. Bonds6

About 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide

4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide (PubChem CID 106140800) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
PubChem CID106140800
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NCC(C)(C)CCO
InChIInChI=1S/C14H23N3O2/c1-14(2,6-7-18)9-17-12-8-10(15)4-5-11(12)13(19)16-3/h4-5,8,17-18H,6-7,9,15H2,1-3H3,(H,16,19)
InChIKeyQGFINZNIRDMYQO-UHFFFAOYSA-N
XLogP1.45
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
4-amino-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-methylbenzamide
CID 79248207
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
CID 105413811
4-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-N-methylbenzamide
CID 106302003
4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80681461
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
4-(2-amino-4-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140671
4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
CID 80585073
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543
4-amino-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzamide
CID 106155092

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide (CID 106140800) is 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1NCC(C)(C)CCO.
What is the InChIKey of 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide?
The InChIKey is QGFINZNIRDMYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,6-7-18)9-17-12-8-10(15)4-5-11(12)13(19)16-3/h4-5,8,17-18H,6-7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide?
4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide has a molecular weight of 265.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide is sourced from PubChem (CID 106140800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).