2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide

C13H20N2O3 — CID 81420758

IUPAC2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)CCCO
InChIInChI=1S/C13H20N2O3/c1-9(5-4-8-16)15-13(17)12-10(14)6-3-7-11(12)18-2/h3,6-7,9,16H,4-5,8,14H2,1-2H3,(H,15,17)
InChIKeyWZTZNOZQKATRAH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds6

About 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide

2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide (PubChem CID 81420758) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
PubChem CID81420758
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)CCCO
InChIInChI=1S/C13H20N2O3/c1-9(5-4-8-16)15-13(17)12-10(14)6-3-7-11(12)18-2/h3,6-7,9,16H,4-5,8,14H2,1-2H3,(H,15,17)
InChIKeyWZTZNOZQKATRAH-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
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-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-methoxy-N-octan-4-ylbenzamide
CID 106021762
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
2-amino-N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 83177577
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
N-(4-bromobutan-2-yl)-2,6-dimethoxybenzamide
CID 83179704
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 81394137
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide (CID 81420758) is 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)NC(C)CCCO.
What is the InChIKey of 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide?
The InChIKey is WZTZNOZQKATRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(5-4-8-16)15-13(17)12-10(14)6-3-7-11(12)18-2/h3,6-7,9,16H,4-5,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide?
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide is sourced from PubChem (CID 81420758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).