N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide

C13H17NO2 — CID 53360342

IUPACN-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N/C=C/c1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-10(2)9-13(16)14-8-7-11-3-5-12(15)6-4-11/h3-8,10,15H,9H2,1-2H3,(H,14,16)/b8-7+
InChIKeyHPFHYVCJRAWMEL-BQYQJAHWSA-N
MW219.28 g/mol
LogP2.53
Rot. Bonds4

About N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide

N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide (PubChem CID 53360342) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide
PubChem CID53360342
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N/C=C/c1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-10(2)9-13(16)14-8-7-11-3-5-12(15)6-4-11/h3-8,10,15H,9H2,1-2H3,(H,14,16)/b8-7+
InChIKeyHPFHYVCJRAWMEL-BQYQJAHWSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-(4-hydroxyphenyl)ethenyl]acetamide
CID 21422510
methyl N-[(E)-2-(4-hydroxyphenyl)ethenyl]carbamate
CID 21422485
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide
CID 59463422
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate
CID 51521239
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide
CID 135799294
N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 61246484
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108908499
2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43170142

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide?
The IUPAC name of N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide (CID 53360342) is N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide.
What is the SMILES notation for N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide?
The canonical SMILES for N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide is CC(C)CC(=O)N/C=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide?
The InChIKey is HPFHYVCJRAWMEL-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)9-13(16)14-8-7-11-3-5-12(15)6-4-11/h3-8,10,15H,9H2,1-2H3,(H,14,16)/b8-7+.
What are the key properties of N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide?
N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide has a molecular weight of 219.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide is sourced from PubChem (CID 53360342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).