N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide

C23H29NO2 — CID 134246358

IUPACN-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCc1ccc(-c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-4-6-18-26-22-15-13-21(14-16-22)20-11-9-19(10-12-20)8-7-17-24(3)23(25)5-2/h5,9-16H,2,4,6-8,17-18H2,1,3H3
InChIKeyKEHIVLLMTDMBGF-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.11
Rot. Bonds10

About N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide

N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide (PubChem CID 134246358) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
PubChem CID134246358
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCc1ccc(-c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-4-6-18-26-22-15-13-21(14-16-22)20-11-9-19(10-12-20)8-7-17-24(3)23(25)5-2/h5,9-16H,2,4,6-8,17-18H2,1,3H3
InChIKeyKEHIVLLMTDMBGF-UHFFFAOYSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-methyl-N-[2-[4-(5-pentylpyrimidin-2-yl)phenoxy]ethyl]prop-2-enamide
CID 134245492
N-[2-[3-ethyl-4-[2-methyl-4-(4-pentylphenyl)phenyl]phenoxy]ethyl]-N-methylprop-2-enamide
CID 134244931
N-methyl-N-(4-octoxyphenyl)prop-2-enamide
CID 134245809
2-[4-[(E)-2-[4-(4-butoxyphenyl)phenyl]ethenyl]phenyl]ethyl prop-2-enoate
CID 130373833
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 134245407
[4-(4-octylphenyl)phenyl] prop-2-enoate
CID 20751952
1-butoxy-4-[4-(3-chloropropyl)phenyl]benzene
CID 19789115
N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide
CID 134246359
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
[4-(4-octadecoxyphenyl)phenyl] prop-2-enoate
CID 122382243
N-[3-[4-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]propyl]-N-methylprop-2-enamide
CID 134245530

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide (CID 134246358) is N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCCc1ccc(-c2ccc(OCCCC)cc2)cc1.
What is the InChIKey of N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide?
The InChIKey is KEHIVLLMTDMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-4-6-18-26-22-15-13-21(14-16-22)20-11-9-19(10-12-20)8-7-17-24(3)23(25)5-2/h5,9-16H,2,4,6-8,17-18H2,1,3H3.
What are the key properties of N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide?
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide has a molecular weight of 351.49 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide is sourced from PubChem (CID 134246358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).