3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide

C15H26N4O — CID 82989320

IUPAC3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(C)(C)CN(C)C)c(N)c1
InChIInChI=1S/C15H26N4O/c1-15(2,10-19(4)5)9-18-13-7-6-11(8-12(13)16)14(20)17-3/h6-8,18H,9-10,16H2,1-5H3,(H,17,20)
InChIKeyHCAMEIZPROHGPM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.63
Rot. Bonds6

About 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide

3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide (PubChem CID 82989320) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide
PubChem CID82989320
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(C)(C)CN(C)C)c(N)c1
InChIInChI=1S/C15H26N4O/c1-15(2,10-19(4)5)9-18-13-7-6-11(8-12(13)16)14(20)17-3/h6-8,18H,9-10,16H2,1-5H3,(H,17,20)
InChIKeyHCAMEIZPROHGPM-UHFFFAOYSA-N
XLogP1.63
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide
CID 106141662
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzamide
CID 83000517
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
4-bromo-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzene-1,2-diamine
CID 28903102
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 61091598
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-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150898
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)-2,2-dimethylpropyl]amino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide (CID 82989320) is 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NCC(C)(C)CN(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide?
The InChIKey is HCAMEIZPROHGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,10-19(4)5)9-18-13-7-6-11(8-12(13)16)14(20)17-3/h6-8,18H,9-10,16H2,1-5H3,(H,17,20).
What are the key properties of 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide?
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylbenzamide is sourced from PubChem (CID 82989320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).