2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide

C13H20N2O3 — CID 43710840

IUPAC2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)C(N)CC(C)C)cc1O
InChIInChI=1S/C13H20N2O3/c1-8(2)6-10(14)13(17)15-9-4-5-12(18-3)11(16)7-9/h4-5,7-8,10,16H,6,14H2,1-3H3,(H,15,17)
InChIKeyMIBNXNDONHBZDM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.71
Rot. Bonds5

About 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide

2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide (PubChem CID 43710840) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
PubChem CID43710840
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)C(N)CC(C)C)cc1O
InChIInChI=1S/C13H20N2O3/c1-8(2)6-10(14)13(17)15-9-4-5-12(18-3)11(16)7-9/h4-5,7-8,10,16H,6,14H2,1-3H3,(H,15,17)
InChIKeyMIBNXNDONHBZDM-UHFFFAOYSA-N
XLogP1.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
6-amino-N-(3-hydroxy-4-methoxyphenyl)-2-methylheptanamide
CID 65290661
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide (CID 43710840) is 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide is COc1ccc(NC(=O)C(N)CC(C)C)cc1O.
What is the InChIKey of 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
The InChIKey is MIBNXNDONHBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)6-10(14)13(17)15-9-4-5-12(18-3)11(16)7-9/h4-5,7-8,10,16H,6,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide?
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide has a molecular weight of 252.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 43710840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).