N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide

C13H17NO2 — CID 73010667

IUPACN-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCC(C)NC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-3-10(2)14-13(16)9-6-11-4-7-12(15)8-5-11/h4-10,15H,3H2,1-2H3,(H,14,16)
InChIKeyACFPONKMQWECED-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.32
Rot. Bonds4

About N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide

N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 73010667) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID73010667
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCC(C)NC(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-3-10(2)14-13(16)9-6-11-4-7-12(15)8-5-11/h4-10,15H,3H2,1-2H3,(H,14,16)
InChIKeyACFPONKMQWECED-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034315
ethanesulfonic acid;(E)-3-(4-hydroxyphenyl)-N-propan-2-ylprop-2-enamide
CID 88652718
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
(Z)-N-[(2S)-butan-2-yl]-3-(3-chloro-4-methylphenyl)prop-2-enamide
CID 97304937
(E)-3-(3-amino-4-methylphenyl)-N-butan-2-ylprop-2-enamide
CID 82044068
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 61246484

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide (CID 73010667) is N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide is CCC(C)NC(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is ACFPONKMQWECED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10(2)14-13(16)9-6-11-4-7-12(15)8-5-11/h4-10,15H,3H2,1-2H3,(H,14,16).
What are the key properties of N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide?
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 73010667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).