N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide

C14H17NO3 — CID 77104857

IUPACN-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CC(O)C2)cc1
InChIInChI=1S/C14H17NO3/c1-18-13-5-2-10(3-6-13)4-7-14(17)15-11-8-12(16)9-11/h2-7,11-12,16H,8-9H2,1H3,(H,15,17)
InChIKeyBZXKKGLLZMUAKA-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.35
Rot. Bonds4

About N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide

N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 77104857) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID77104857
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CC(O)C2)cc1
InChIInChI=1S/C14H17NO3/c1-18-13-5-2-10(3-6-13)4-7-14(17)15-11-8-12(16)9-11/h2-7,11-12,16H,8-9H2,1H3,(H,15,17)
InChIKeyBZXKKGLLZMUAKA-UHFFFAOYSA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
3-(4-bromophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109962
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109873
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-N-(3-isothiocyanatocyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide;molecular hydrogen
CID 153363158
(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 103866686
(E)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6952792
3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109950
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 77104857) is N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)NC2CC(O)C2)cc1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is BZXKKGLLZMUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-13-5-2-10(3-6-13)4-7-14(17)15-11-8-12(16)9-11/h2-7,11-12,16H,8-9H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 247.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 77104857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).