N-butyl-3-(4-hydroxyphenyl)prop-2-enamide

C13H17NO2 — CID 56978455

IUPACN-butyl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCCCNC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-2-3-10-14-13(16)9-6-11-4-7-12(15)8-5-11/h4-9,15H,2-3,10H2,1H3,(H,14,16)
InChIKeyPOCXXHLNRPTBRJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.32
Rot. Bonds5

About N-butyl-3-(4-hydroxyphenyl)prop-2-enamide

N-butyl-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 56978455) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-butyl-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID56978455
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-butyl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCCCNC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-2-3-10-14-13(16)9-6-11-4-7-12(15)8-5-11/h4-9,15H,2-3,10H2,1H3,(H,14,16)
InChIKeyPOCXXHLNRPTBRJ-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-N-[4-[3-[3-(4-hydroxyphenyl)prop-2-enoylamino]propylamino]butyl]prop-2-enamide
CID 73190496
(E)-N-butyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 15086373
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
8-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]octylazanium chloride
CID 11045649
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-butyl-3-(4-hydroxyphenyl)prop-2-enamide (CID 56978455) is N-butyl-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-butyl-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-butyl-3-(4-hydroxyphenyl)prop-2-enamide is CCCCNC(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of N-butyl-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is POCXXHLNRPTBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-3-10-14-13(16)9-6-11-4-7-12(15)8-5-11/h4-9,15H,2-3,10H2,1H3,(H,14,16).
What are the key properties of N-butyl-3-(4-hydroxyphenyl)prop-2-enamide?
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 56978455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).