(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal

C23H37NO — CID 88747551

IUPAC(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal
SMILESCCCCCCCCCCCCCCNc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-24-23-18-16-22(17-19-23)15-14-21-25/h14-19,21,24H,2-13,20H2,1H3/b15-14+
InChIKeyVLSUXOHTTDLYJI-CCEZHUSRSA-N
MW343.55 g/mol
LogP7.01
Rot. Bonds16

About (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal

(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal (PubChem CID 88747551) has the molecular formula C23H37NO and a molecular weight of 343.55 g/mol. Its IUPAC name is (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal
PubChem CID88747551
Molecular FormulaC23H37NO
Molecular Weight343.55 g/mol
Exact Mass343.29
IUPAC Name(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal
SMILESCCCCCCCCCCCCCCNc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-24-23-18-16-22(17-19-23)15-14-21-25/h14-19,21,24H,2-13,20H2,1H3/b15-14+
InChIKeyVLSUXOHTTDLYJI-CCEZHUSRSA-N
XLogP7.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.55
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(nonadecylamino)benzaldehyde
CID 20556317
4-[(Z)-2-(4-nitrophenyl)ethenyl]-N-octadecylaniline
CID 51056058
3-[4-[2-(dimethylamino)ethylamino]phenyl]prop-2-enal
CID 91134747
4-[2-(3,4-dinitrophenyl)ethenyl]-N-heptylaniline
CID 88517520
(E)-3-(4-nonoxyphenyl)prop-2-enal
CID 87527028
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
3-(4-butylphenyl)prop-2-enal
CID 20981088
4-[2-(3-fluoro-4-nitrophenyl)ethenyl]-N-octadecylaniline
CID 67930523
ethyl 3-[4-(octadec-9-enylamino)phenyl]prop-2-enoate
CID 57184227
N-nonadecylaniline
CID 54509054
fluoroethane;fluoro(methoxy)methane;(E)-3-(4-heptoxyphenyl)prop-2-enal
CID 142526280

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal?
The IUPAC name of (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal (CID 88747551) is (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal is CCCCCCCCCCCCCCNc1ccc(/C=C/C=O)cc1.
What is the InChIKey of (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal?
The InChIKey is VLSUXOHTTDLYJI-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-24-23-18-16-22(17-19-23)15-14-21-25/h14-19,21,24H,2-13,20H2,1H3/b15-14+.
What are the key properties of (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal?
(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal has a molecular weight of 343.55 g/mol, XLogP of 7.01, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(tetradecylamino)phenyl]prop-2-enal is sourced from PubChem (CID 88747551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).