4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide

C13H21N3O3 — CID 66169478

IUPAC4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC(C)(O)CO)c1
InChIInChI=1S/C13H21N3O3/c1-13(19,8-17)7-15-11-6-9(4-5-10(11)14)12(18)16(2)3/h4-6,15,17,19H,7-8,14H2,1-3H3
InChIKeyHUKKWXHZKUSRBS-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.13
Rot. Bonds5

About 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide

4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide (PubChem CID 66169478) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
PubChem CID66169478
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC(C)(O)CO)c1
InChIInChI=1S/C13H21N3O3/c1-13(19,8-17)7-15-11-6-9(4-5-10(11)14)12(18)16(2)3/h4-6,15,17,19H,7-8,14H2,1-3H3
InChIKeyHUKKWXHZKUSRBS-UHFFFAOYSA-N
XLogP0.13
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.13
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-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 82989662
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide (CID 66169478) is 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(NCC(C)(O)CO)c1.
What is the InChIKey of 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The InChIKey is HUKKWXHZKUSRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(19,8-17)7-15-11-6-9(4-5-10(11)14)12(18)16(2)3/h4-6,15,17,19H,7-8,14H2,1-3H3.
What are the key properties of 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 66169478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).