3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide

C18H19NO3 — CID 174837362

IUPAC3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide
SMILESCOC(C)Oc1ccc(-c2ccc(C=CC(N)=O)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(21-2)22-17-10-8-16(9-11-17)15-6-3-14(4-7-15)5-12-18(19)20/h3-13H,1-2H3,(H2,19,20)
InChIKeySLHKJCGIUHWMHC-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.22
Rot. Bonds6

About 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide

3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide (PubChem CID 174837362) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide
PubChem CID174837362
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide
SMILESCOC(C)Oc1ccc(-c2ccc(C=CC(N)=O)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(21-2)22-17-10-8-16(9-11-17)15-6-3-14(4-7-15)5-12-18(19)20/h3-13H,1-2H3,(H2,19,20)
InChIKeySLHKJCGIUHWMHC-UHFFFAOYSA-N
XLogP3.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 131842632
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
CID 89009479
methyl 4-[(E)-3-amino-3-oxoprop-1-enyl]benzoate
CID 82040602
(E)-1,1-dimethoxy-4-(4-methoxyphenyl)but-3-en-2-one
CID 23258829
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
2-[4-[(E)-3-amino-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 170876536
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865
propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 140807731
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
propan-2-yl 4-[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenyl]benzoate
CID 170877625

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide?
The IUPAC name of 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide (CID 174837362) is 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide is COC(C)Oc1ccc(-c2ccc(C=CC(N)=O)cc2)cc1.
What is the InChIKey of 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide?
The InChIKey is SLHKJCGIUHWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(21-2)22-17-10-8-16(9-11-17)15-6-3-14(4-7-15)5-12-18(19)20/h3-13H,1-2H3,(H2,19,20).
What are the key properties of 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide?
3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1-methoxyethoxy)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 174837362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).