3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide

C15H25N3O — CID 62092751

IUPAC3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H25N3O/c1-5-7-12(6-2)17-15(19)11-8-9-14(18(3)4)13(16)10-11/h8-10,12H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyZNZNQVVZKPTYGU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds6

About 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide

3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide (PubChem CID 62092751) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
PubChem CID62092751
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H25N3O/c1-5-7-12(6-2)17-15(19)11-8-9-14(18(3)4)13(16)10-11/h8-10,12H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyZNZNQVVZKPTYGU-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
3-amino-N-hexan-3-ylthiophene-2-carboxamide
CID 62092927
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide (CID 62092751) is 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide is CCCC(CC)NC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide?
The InChIKey is ZNZNQVVZKPTYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-7-12(6-2)17-15(19)11-8-9-14(18(3)4)13(16)10-11/h8-10,12H,5-7,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide?
3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide is sourced from PubChem (CID 62092751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).