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

C16H21NO3 — CID 76941549

IUPACN-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C16H21NO3/c1-20-13-9-6-12(7-10-13)8-11-16(19)17-14-4-2-3-5-15(14)18/h6-11,14-15,18H,2-5H2,1H3,(H,17,19)
InChIKeyMYXNIBDZHAGQET-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.13
Rot. Bonds4

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

N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 76941549) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID76941549
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C16H21NO3/c1-20-13-9-6-12(7-10-13)8-11-16(19)17-14-4-2-3-5-15(14)18/h6-11,14-15,18H,2-5H2,1H3,(H,17,19)
InChIKeyMYXNIBDZHAGQET-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.13
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

3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 77104857
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]prop-2-enamide
CID 104927946
N-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 162976381
(E)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6952792
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76941521

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 76941549) is N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)NC2CCCCC2O)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is MYXNIBDZHAGQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-13-9-6-12(7-10-13)8-11-16(19)17-14-4-2-3-5-15(14)18/h6-11,14-15,18H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 275.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 76941549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).