N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide

C15H21NO3 — CID 61246484

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCC(C)CC(CO)NC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)9-13(10-17)16-15(19)8-5-12-3-6-14(18)7-4-12/h3-8,11,13,17-18H,9-10H2,1-2H3,(H,16,19)
InChIKeyLCCMTZAHFDRISU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 61246484) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID61246484
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCC(C)CC(CO)NC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)9-13(10-17)16-15(19)8-5-12-3-6-14(18)7-4-12/h3-8,11,13,17-18H,9-10H2,1-2H3,(H,16,19)
InChIKeyLCCMTZAHFDRISU-UHFFFAOYSA-N
XLogP1.93
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43170142
N-(1-hydroxy-4-methylpentan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 61246342
methyl 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoate
CID 43422745
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
3-(3-cyanophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61245487
ethanesulfonic acid;(E)-3-(4-hydroxyphenyl)-N-propan-2-ylprop-2-enamide
CID 88652718
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61247353
(2S)-4-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 114004855
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613
(E)-N-(4-fluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)but-2-enediamide
CID 110008237

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide (CID 61246484) is N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide is CC(C)CC(CO)NC(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is LCCMTZAHFDRISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)9-13(10-17)16-15(19)8-5-12-3-6-14(18)7-4-12/h3-8,11,13,17-18H,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 61246484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).