2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide

C15H24N2O3 — CID 106284093

IUPAC2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H24N2O3/c1-4-10(5-2)14(18)9-17-15(19)12-8-11(20-3)6-7-13(12)16/h6-8,10,14,18H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyBCFHVUDHHRGVAO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.80
Rot. Bonds7

About 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide

2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide (PubChem CID 106284093) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
PubChem CID106284093
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C15H24N2O3/c1-4-10(5-2)14(18)9-17-15(19)12-8-11(20-3)6-7-13(12)16/h6-8,10,14,18H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyBCFHVUDHHRGVAO-UHFFFAOYSA-N
XLogP1.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
CID 106284251
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide (CID 106284093) is 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide is CCC(CC)C(O)CNC(=O)c1cc(OC)ccc1N.
What is the InChIKey of 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide?
The InChIKey is BCFHVUDHHRGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-10(5-2)14(18)9-17-15(19)12-8-11(20-3)6-7-13(12)16/h6-8,10,14,18H,4-5,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide?
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide is sourced from PubChem (CID 106284093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).