2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate

C22H25NO4 — CID 59642174

IUPAC2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(Cc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H25NO4/c1-4-21(24)27-14-13-26-20-11-7-18(8-12-20)15-17-5-9-19(10-6-17)22(25)23-16(2)3/h4-12,16H,1,13-15H2,2-3H3,(H,23,25)
InChIKeyCLSOZLBXZIRQRG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.52
Rot. Bonds9

About 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate

2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate (PubChem CID 59642174) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
PubChem CID59642174
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(Cc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C22H25NO4/c1-4-21(24)27-14-13-26-20-11-7-18(8-12-20)15-17-5-9-19(10-6-17)22(25)23-16(2)3/h4-12,16H,1,13-15H2,2-3H3,(H,23,25)
InChIKeyCLSOZLBXZIRQRG-UHFFFAOYSA-N
XLogP3.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(propan-2-ylcarbamoyl)phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate
CID 58981520
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397
2-[4-[[4-(2-prop-1-enoxyethoxy)phenyl]methyl]phenyl]ethyl prop-2-enoate
CID 151922755
2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
CID 59017570
2-[4-[[4-(4-cyanophenyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642173
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
2-[4-[1,1-bis[4-(2-prop-2-enoyloxyethoxy)phenyl]ethyl]phenoxy]ethyl prop-2-enoate;ethane
CID 145475606
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate (CID 59642174) is 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(Cc2ccc(C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
The InChIKey is CLSOZLBXZIRQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-4-21(24)27-14-13-26-20-11-7-18(8-12-20)15-17-5-9-19(10-6-17)22(25)23-16(2)3/h4-12,16H,1,13-15H2,2-3H3,(H,23,25).
What are the key properties of 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate?
2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate has a molecular weight of 367.45 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 59642174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).