N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide

C19H27NO3 — CID 91944052

IUPACN-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(C(C)=CC(=O)NC2(CCO)CCCCC2)c1
InChIInChI=1S/C19H27NO3/c1-15(16-7-6-8-17(14-16)23-2)13-18(22)20-19(11-12-21)9-4-3-5-10-19/h6-8,13-14,21H,3-5,9-12H2,1-2H3,(H,20,22)
InChIKeyJBWWNMVMRCHPTJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide

N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide (PubChem CID 91944052) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide
PubChem CID91944052
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(C(C)=CC(=O)NC2(CCO)CCCCC2)c1
InChIInChI=1S/C19H27NO3/c1-15(16-7-6-8-17(14-16)23-2)13-18(22)20-19(11-12-21)9-4-3-5-10-19/h6-8,13-14,21H,3-5,9-12H2,1-2H3,(H,20,22)
InChIKeyJBWWNMVMRCHPTJ-UHFFFAOYSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.30
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

N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
CID 70592832
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911961
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide
CID 71860116
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
(E)-N-(3-hydroxy-4-methylpentyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912040
(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
CID 80685429
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
N-[3-(2-hydroxyethylsulfanyl)-1H-1,2,4-triazol-5-yl]-3-(3-methoxyphenyl)but-2-enamide
CID 154775810
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911976

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide?
The IUPAC name of N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide (CID 91944052) is N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide is COc1cccc(C(C)=CC(=O)NC2(CCO)CCCCC2)c1.
What is the InChIKey of N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide?
The InChIKey is JBWWNMVMRCHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15(16-7-6-8-17(14-16)23-2)13-18(22)20-19(11-12-21)9-4-3-5-10-19/h6-8,13-14,21H,3-5,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide?
N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide has a molecular weight of 317.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 91944052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).