4-amino-N-hexan-3-ylbenzamide

C13H20N2O — CID 62094734

IUPAC4-amino-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-3-5-12(4-2)15-13(16)10-6-8-11(14)9-7-10/h6-9,12H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyVERLWVXAZSONQM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.58
Rot. Bonds5

About 4-amino-N-hexan-3-ylbenzamide

4-amino-N-hexan-3-ylbenzamide (PubChem CID 62094734) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-amino-N-hexan-3-ylbenzamide.

Molecular Properties

Compound Name4-amino-N-hexan-3-ylbenzamide
PubChem CID62094734
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-amino-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-3-5-12(4-2)15-13(16)10-6-8-11(14)9-7-10/h6-9,12H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyVERLWVXAZSONQM-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-hexan-3-yl-2-methylpropanamide
CID 80556865
4-amino-N-butan-2-ylbenzamide
CID 3503917
3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
CID 62092751
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
CID 106230565
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexan-3-ylbenzamide?
The IUPAC name of 4-amino-N-hexan-3-ylbenzamide (CID 62094734) is 4-amino-N-hexan-3-ylbenzamide.
What is the SMILES notation for 4-amino-N-hexan-3-ylbenzamide?
The canonical SMILES for 4-amino-N-hexan-3-ylbenzamide is CCCC(CC)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-hexan-3-ylbenzamide?
The InChIKey is VERLWVXAZSONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-5-12(4-2)15-13(16)10-6-8-11(14)9-7-10/h6-9,12H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-hexan-3-ylbenzamide?
4-amino-N-hexan-3-ylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexan-3-ylbenzamide is sourced from PubChem (CID 62094734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).