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

C14H22N2O2 — CID 81090278

IUPAC3-amino-N-hexan-2-yl-5-methoxybenzamide
SMILESCCCCC(C)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-5-6-10(2)16-14(17)11-7-12(15)9-13(8-11)18-3/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyLGDLAEAAAROIIA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds6

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

3-amino-N-hexan-2-yl-5-methoxybenzamide (PubChem CID 81090278) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-hexan-2-yl-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-hexan-2-yl-5-methoxybenzamide
PubChem CID81090278
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-hexan-2-yl-5-methoxybenzamide
SMILESCCCCC(C)NC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-5-6-10(2)16-14(17)11-7-12(15)9-13(8-11)18-3/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyLGDLAEAAAROIIA-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

3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091859
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
CID 103106429
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
CID 106152027
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
3-amino-5-ethoxy-N-(1-ethoxypropan-2-yl)benzamide
CID 81089892
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 107868799
diethyl 2-[(3,5-dimethoxybenzoyl)amino]propanedioate
CID 33240158
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-2-yl-5-methoxybenzamide?
The IUPAC name of 3-amino-N-hexan-2-yl-5-methoxybenzamide (CID 81090278) is 3-amino-N-hexan-2-yl-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-hexan-2-yl-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-hexan-2-yl-5-methoxybenzamide is CCCCC(C)NC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-hexan-2-yl-5-methoxybenzamide?
The InChIKey is LGDLAEAAAROIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-10(2)16-14(17)11-7-12(15)9-13(8-11)18-3/h7-10H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-hexan-2-yl-5-methoxybenzamide?
3-amino-N-hexan-2-yl-5-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 3-amino-N-hexan-2-yl-5-methoxybenzamide is sourced from PubChem (CID 81090278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).