3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide

C14H24N4O2 — CID 106141662

IUPAC3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(C)(O)CN(C)C)c(N)c1
InChIInChI=1S/C14H24N4O2/c1-14(20,9-18(3)4)8-17-12-6-5-10(7-11(12)15)13(19)16-2/h5-7,17,20H,8-9,15H2,1-4H3,(H,16,19)
InChIKeyIUSVXGWLENRRAW-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.35
Rot. Bonds6

About 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide

3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide (PubChem CID 106141662) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide
PubChem CID106141662
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(C)(O)CN(C)C)c(N)c1
InChIInChI=1S/C14H24N4O2/c1-14(20,9-18(3)4)8-17-12-6-5-10(7-11(12)15)13(19)16-2/h5-7,17,20H,8-9,15H2,1-4H3,(H,16,19)
InChIKeyIUSVXGWLENRRAW-UHFFFAOYSA-N
XLogP0.35
TPSA90.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.35
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

3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide
CID 82989320
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzamide
CID 83000517
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
3-amino-4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-N-methylbenzamide
CID 82999869
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 82989662
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150898
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide (CID 106141662) is 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NCC(C)(O)CN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide?
The InChIKey is IUSVXGWLENRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(20,9-18(3)4)8-17-12-6-5-10(7-11(12)15)13(19)16-2/h5-7,17,20H,8-9,15H2,1-4H3,(H,16,19).
What are the key properties of 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide?
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide has a molecular weight of 280.37 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide is sourced from PubChem (CID 106141662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).