2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide

C12H18N2O3 — CID 81089431

IUPAC2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H18N2O3/c1-17-8-4-5-9(13)12(16)14-10-6-2-3-7-11(10)15/h2-3,6-7,9,15H,4-5,8,13H2,1H3,(H,14,16)
InChIKeyCKQLVINMLQMPOH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.08
Rot. Bonds6

About 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide

2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide (PubChem CID 81089431) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
PubChem CID81089431
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H18N2O3/c1-17-8-4-5-9(13)12(16)14-10-6-2-3-7-11(10)15/h2-3,6-7,9,15H,4-5,8,13H2,1H3,(H,14,16)
InChIKeyCKQLVINMLQMPOH-UHFFFAOYSA-N
XLogP1.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
CID 81086132
(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
CID 172827982
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
CID 81422440
methyl 3-[(2-amino-5-methoxypentanoyl)amino]-2-methylbenzoate
CID 81084760
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide (CID 81089431) is 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1ccccc1O.
What is the InChIKey of 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide?
The InChIKey is CKQLVINMLQMPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-8-4-5-9(13)12(16)14-10-6-2-3-7-11(10)15/h2-3,6-7,9,15H,4-5,8,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide?
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide has a molecular weight of 238.29 g/mol, XLogP of 1.08, 6 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)-5-methoxypentanamide is sourced from PubChem (CID 81089431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).