(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one

C20H23NO2 — CID 18795152

IUPAC(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
SMILESCCCCCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-2-3-4-15-23-19-12-5-16(6-13-19)7-14-20(22)17-8-10-18(21)11-9-17/h5-14H,2-4,15,21H2,1H3/b14-7+
InChIKeyGCIKCQUWUTVMLE-VGOFMYFVSA-N
MW309.41 g/mol
LogP4.73
Rot. Bonds8

About (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one

(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one (PubChem CID 18795152) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
PubChem CID18795152
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
SMILESCCCCCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-2-3-4-15-23-19-12-5-16(6-13-19)7-14-20(22)17-8-10-18(21)11-9-17/h5-14H,2-4,15,21H2,1H3/b14-7+
InChIKeyGCIKCQUWUTVMLE-VGOFMYFVSA-N
XLogP4.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(4-octoxyphenyl)prop-2-en-1-one
CID 54348512
(E)-1-(4-hexadecoxyphenyl)-3-(4-tetradecoxyphenyl)prop-2-en-1-one
CID 132575724
4-[3-(4-hexoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 71347268
3-(4-methylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one
CID 70379262
(E)-3-[4-(3-bromopropoxy)phenyl]-1-(4-hexadecoxyphenyl)prop-2-en-1-one
CID 101163513
[4-[(E)-3-(4-heptoxyphenyl)prop-2-enoyl]phenyl] (E)-3-(4-octadecoxyphenyl)prop-2-enoate
CID 132513116
(E)-1-(4-pentoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 6056566
1-(4-chlorophenyl)-3-(4-octadecoxyphenyl)prop-2-en-1-one
CID 139681232
(E)-1-(4-ethylperoxyphenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
CID 21182429
[4-[(E)-3-(4-octoxyphenyl)prop-2-enoyl]phenyl] 4-tetradecoxybenzoate
CID 177385649
3-(4-henicosylsulfanylphenyl)-1-(4-heptoxyphenyl)prop-2-en-1-one
CID 70379754
1-(4-butylsulfanylphenyl)-3-(4-docosoxyphenyl)prop-2-en-1-one
CID 70379377

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one (CID 18795152) is (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one is CCCCCOc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one?
The InChIKey is GCIKCQUWUTVMLE-VGOFMYFVSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-3-4-15-23-19-12-5-16(6-13-19)7-14-20(22)17-8-10-18(21)11-9-17/h5-14H,2-4,15,21H2,1H3/b14-7+.
What are the key properties of (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one?
(E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one has a molecular weight of 309.41 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminophenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 18795152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).