5-amino-N-hexan-3-yl-2-methoxybenzamide

C14H22N2O2 — CID 62094748

IUPAC5-amino-N-hexan-3-yl-2-methoxybenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-6-11(5-2)16-14(17)12-9-10(15)7-8-13(12)18-3/h7-9,11H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyMAZYBFOLFUKYHW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds6

About 5-amino-N-hexan-3-yl-2-methoxybenzamide

5-amino-N-hexan-3-yl-2-methoxybenzamide (PubChem CID 62094748) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-amino-N-hexan-3-yl-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-hexan-3-yl-2-methoxybenzamide
PubChem CID62094748
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-amino-N-hexan-3-yl-2-methoxybenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-6-11(5-2)16-14(17)12-9-10(15)7-8-13(12)18-3/h7-9,11H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyMAZYBFOLFUKYHW-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
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

2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
5-amino-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 106113235
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
4-amino-N-hexan-3-ylbenzamide
CID 62094734
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61489769
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide
CID 61094470
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-hexan-3-yl-2-methoxybenzamide?
The IUPAC name of 5-amino-N-hexan-3-yl-2-methoxybenzamide (CID 62094748) is 5-amino-N-hexan-3-yl-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-hexan-3-yl-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-hexan-3-yl-2-methoxybenzamide is CCCC(CC)NC(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-hexan-3-yl-2-methoxybenzamide?
The InChIKey is MAZYBFOLFUKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-6-11(5-2)16-14(17)12-9-10(15)7-8-13(12)18-3/h7-9,11H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-N-hexan-3-yl-2-methoxybenzamide?
5-amino-N-hexan-3-yl-2-methoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hexan-3-yl-2-methoxybenzamide is sourced from PubChem (CID 62094748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).