(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide

C20H21F2NO3 — CID 24611478

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(C)cc1CCNC(=O)/C=C/c1ccccc1OC(F)F
InChIInChI=1S/C20H21F2NO3/c1-14-7-9-17(25-2)16(13-14)11-12-23-19(24)10-8-15-5-3-4-6-18(15)26-20(21)22/h3-10,13,20H,11-12H2,1-2H3,(H,23,24)/b10-8+
InChIKeyBHCNNMLCCSZNFV-CSKARUKUSA-N
MW361.39 g/mol
LogP3.98
Rot. Bonds8

About (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide (PubChem CID 24611478) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
PubChem CID24611478
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(C)cc1CCNC(=O)/C=C/c1ccccc1OC(F)F
InChIInChI=1S/C20H21F2NO3/c1-14-7-9-17(25-2)16(13-14)11-12-23-19(24)10-8-15-5-3-4-6-18(15)26-20(21)22/h3-10,13,20H,11-12H2,1-2H3,(H,23,24)/b10-8+
InChIKeyBHCNNMLCCSZNFV-CSKARUKUSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]butanoate
CID 43052706
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 31368150
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide
CID 173355600
(E)-N-[2-(4-chlorophenyl)ethyl]-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9211014
(E)-3-[2-(difluoromethoxy)phenyl]-N-(3-phenoxypropyl)prop-2-enamide
CID 33175801
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide
CID 26025403
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropyl)prop-2-enamide
CID 51204733
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(2-methylpropoxy)propyl]prop-2-enamide
CID 134051873
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 134036355
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 94669794

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide (CID 24611478) is (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide is COc1ccc(C)cc1CCNC(=O)/C=C/c1ccccc1OC(F)F.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is BHCNNMLCCSZNFV-CSKARUKUSA-N. The full InChI is InChI=1S/C20H21F2NO3/c1-14-7-9-17(25-2)16(13-14)11-12-23-19(24)10-8-15-5-3-4-6-18(15)26-20(21)22/h3-10,13,20H,11-12H2,1-2H3,(H,23,24)/b10-8+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 361.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 24611478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).