2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide

C13H20N2O3 — CID 114332295

IUPAC2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1ccccc1O
InChIInChI=1S/C13H20N2O3/c1-18-8-4-6-11(14)13(17)15-9-10-5-2-3-7-12(10)16/h2-3,5,7,11,16H,4,6,8-9,14H2,1H3,(H,15,17)
InChIKeyIFBUQHGSAMYJNH-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.76
Rot. Bonds7

About 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide

2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide (PubChem CID 114332295) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
PubChem CID114332295
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1ccccc1O
InChIInChI=1S/C13H20N2O3/c1-18-8-4-6-11(14)13(17)15-9-10-5-2-3-7-12(10)16/h2-3,5,7,11,16H,4,6,8-9,14H2,1H3,(H,15,17)
InChIKeyIFBUQHGSAMYJNH-UHFFFAOYSA-N
XLogP0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
2-amino-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 106260897
2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
CID 81088409
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
CID 103292338
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
2-amino-5-methoxy-N-propylpentanamide
CID 81082005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide (CID 114332295) is 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCc1ccccc1O.
What is the InChIKey of 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide?
The InChIKey is IFBUQHGSAMYJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-8-4-6-11(14)13(17)15-9-10-5-2-3-7-12(10)16/h2-3,5,7,11,16H,4,6,8-9,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide?
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide has a molecular weight of 252.31 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide is sourced from PubChem (CID 114332295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).