(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide

C17H23NO3 — CID 110912798

IUPAC(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide
SMILESC/C(=C/C(=O)NCC(O)COc1cccc(C)c1)C1CC1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-16(8-12)21-11-15(19)10-18-17(20)9-13(2)14-6-7-14/h3-5,8-9,14-15,19H,6-7,10-11H2,1-2H3,(H,18,20)/b13-9-
InChIKeyGNFPASFYIBXFLZ-LCYFTJDESA-N
MW289.38 g/mol
LogP2.21
Rot. Bonds7

About (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide

(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide (PubChem CID 110912798) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide
PubChem CID110912798
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide
SMILESC/C(=C/C(=O)NCC(O)COc1cccc(C)c1)C1CC1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-16(8-12)21-11-15(19)10-18-17(20)9-13(2)14-6-7-14/h3-5,8-9,14-15,19H,6-7,10-11H2,1-2H3,(H,18,20)/b13-9-
InChIKeyGNFPASFYIBXFLZ-LCYFTJDESA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.21
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

(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide
CID 110912797
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
CID 119751617
N-[2-hydroxy-3-(3-methylphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 110904517
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide?
The IUPAC name of (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide (CID 110912798) is (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide.
What is the SMILES notation for (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide?
The canonical SMILES for (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide is C/C(=C/C(=O)NCC(O)COc1cccc(C)c1)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide?
The InChIKey is GNFPASFYIBXFLZ-LCYFTJDESA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-4-3-5-16(8-12)21-11-15(19)10-18-17(20)9-13(2)14-6-7-14/h3-5,8-9,14-15,19H,6-7,10-11H2,1-2H3,(H,18,20)/b13-9-.
What are the key properties of (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide?
(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide is sourced from PubChem (CID 110912798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).