5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide

C15H25N3O — CID 55033066

IUPAC5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C15H25N3O/c1-5-7-12(6-2)17-15(19)13-10-11(16)8-9-14(13)18(3)4/h8-10,12H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyKXNXJDLGOWSFPC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds6

About 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide

5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide (PubChem CID 55033066) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
PubChem CID55033066
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C15H25N3O/c1-5-7-12(6-2)17-15(19)13-10-11(16)8-9-14(13)18(3)4/h8-10,12H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyKXNXJDLGOWSFPC-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
CID 62092751
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
4-amino-N-hexan-3-ylbenzamide
CID 62094734
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide (CID 55033066) is 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide is CCCC(CC)NC(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide?
The InChIKey is KXNXJDLGOWSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-7-12(6-2)17-15(19)13-10-11(16)8-9-14(13)18(3)4/h8-10,12H,5-7,16H2,1-4H3,(H,17,19).
What are the key properties of 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide?
5-amino-2-(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 5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide is sourced from PubChem (CID 55033066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).