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

C16H27N3O2 — CID 107151012

IUPAC3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCC(O)CC(C)(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)9-12(20)10-18-14-7-6-11(8-13(14)17)15(21)19(4)5/h6-8,12,18,20H,9-10,17H2,1-5H3
InChIKeyOWHURFPAQRNAEC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.18
Rot. Bonds5

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

3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide (PubChem CID 107151012) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
PubChem CID107151012
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCC(O)CC(C)(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)9-12(20)10-18-14-7-6-11(8-13(14)17)15(21)19(4)5/h6-8,12,18,20H,9-10,17H2,1-5H3
InChIKeyOWHURFPAQRNAEC-UHFFFAOYSA-N
XLogP2.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.18
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-[(2-hydroxy-4-methylpentyl)amino]-N,N-dimethylbenzamide
CID 107151184
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150898
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 82989662
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
CID 82991324
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107150923
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 107150564
3-amino-4-(2,3-dihydroxypropylamino)benzamide
CID 66176345

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide (CID 107151012) is 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCC(O)CC(C)(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
The InChIKey is OWHURFPAQRNAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)9-12(20)10-18-14-7-6-11(8-13(14)17)15(21)19(4)5/h6-8,12,18,20H,9-10,17H2,1-5H3.
What are the key properties of 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 107151012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).