ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate

C38H51NO3 — CID 57315143

IUPACethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(NCCCCCCCCCCCCCCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C38H51NO3/c1-2-41-38(40)30-25-34-21-26-36(27-22-34)39-31-17-12-10-8-6-4-3-5-7-9-11-14-18-33-23-28-37(29-24-33)42-32-35-19-15-13-16-20-35/h13,15-16,19-30,39H,2-12,14,17-18,31-32H2,1H3
InChIKeyVPLVJQDGQYUYPZ-UHFFFAOYSA-N
MW569.83 g/mol
LogP10.18
Rot. Bonds22

About ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate

ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate (PubChem CID 57315143) has the molecular formula C38H51NO3 and a molecular weight of 569.83 g/mol. Its IUPAC name is ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate
PubChem CID57315143
Molecular FormulaC38H51NO3
Molecular Weight569.83 g/mol
Exact Mass569.39
IUPAC Nameethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(NCCCCCCCCCCCCCCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C38H51NO3/c1-2-41-38(40)30-25-34-21-26-36(27-22-34)39-31-17-12-10-8-6-4-3-5-7-9-11-14-18-33-23-28-37(29-24-33)42-32-35-19-15-13-16-20-35/h13,15-16,19-30,39H,2-12,14,17-18,31-32H2,1H3
InChIKeyVPLVJQDGQYUYPZ-UHFFFAOYSA-N
XLogP10.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.83
LogP ≤ 510.18
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

ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
ethyl 3-(4-hexylphenyl)prop-2-enoate
CID 72756118
ethyl (Z)-3-(4-hexylphenyl)prop-2-enoate
CID 11219172
ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate
CID 54047966
ethyl 3-[4-(octadec-9-enylamino)phenyl]prop-2-enoate
CID 57184227
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 35792906
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate (CID 57315143) is ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(NCCCCCCCCCCCCCCc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate?
The InChIKey is VPLVJQDGQYUYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51NO3/c1-2-41-38(40)30-25-34-21-26-36(27-22-34)39-31-17-12-10-8-6-4-3-5-7-9-11-14-18-33-23-28-37(29-24-33)42-32-35-19-15-13-16-20-35/h13,15-16,19-30,39H,2-12,14,17-18,31-32H2,1H3.
What are the key properties of ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate?
ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate has a molecular weight of 569.83 g/mol, XLogP of 10.18, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[14-(4-phenylmethoxyphenyl)tetradecylamino]phenyl]prop-2-enoate is sourced from PubChem (CID 57315143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).