4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide

C15H25N3O2 — CID 107150888

IUPAC4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC(O)CC(C)(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)8-11(19)9-18-13-7-10(14(20)17-4)5-6-12(13)16/h5-7,11,18-19H,8-9,16H2,1-4H3,(H,17,20)
InChIKeyBAYJBIKOXLLJLT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds5

About 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide

4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide (PubChem CID 107150888) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
PubChem CID107150888
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC(O)CC(C)(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)8-11(19)9-18-13-7-10(14(20)17-4)5-6-12(13)16/h5-7,11,18-19H,8-9,16H2,1-4H3,(H,17,20)
InChIKeyBAYJBIKOXLLJLT-UHFFFAOYSA-N
XLogP1.84
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.84
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

3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150898
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 107150564
4-amino-3-(1-hydroxybutan-2-ylamino)-N-methylbenzamide
CID 63357122
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
CID 63357348
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
CID 113471567
4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
CID 106426373
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 63357258

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide (CID 107150888) is 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NCC(O)CC(C)(C)C)c1.
What is the InChIKey of 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide?
The InChIKey is BAYJBIKOXLLJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)8-11(19)9-18-13-7-10(14(20)17-4)5-6-12(13)16/h5-7,11,18-19H,8-9,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide?
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide is sourced from PubChem (CID 107150888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).