N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide

C15H23NO3 — CID 115187160

IUPACN-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide
SMILESCCc1ccc(OC)c(NC(=O)C(CO)C(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-11-6-7-14(19-4)13(8-11)16-15(18)12(9-17)10(2)3/h6-8,10,12,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyJGMKMTQNRBDDEH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.46
Rot. Bonds6

About N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide

N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide (PubChem CID 115187160) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide
PubChem CID115187160
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide
SMILESCCc1ccc(OC)c(NC(=O)C(CO)C(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-11-6-7-14(19-4)13(8-11)16-15(18)12(9-17)10(2)3/h6-8,10,12,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyJGMKMTQNRBDDEH-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428
4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
CID 115156220
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
CID 61178895
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
CID 112513422
2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
CID 115174937
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 2606991
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
CID 8861848

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide?
The IUPAC name of N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide (CID 115187160) is N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide.
What is the SMILES notation for N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide?
The canonical SMILES for N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide is CCc1ccc(OC)c(NC(=O)C(CO)C(C)C)c1.
What is the InChIKey of N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide?
The InChIKey is JGMKMTQNRBDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11-6-7-14(19-4)13(8-11)16-15(18)12(9-17)10(2)3/h6-8,10,12,17H,5,9H2,1-4H3,(H,16,18).
What are the key properties of N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide?
N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide is sourced from PubChem (CID 115187160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).