N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide

C29H43NO2 — CID 134244941

IUPACN-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCOc1ccc(C2=CCC(C3CCC(CCCCC)CC3)CC2)cc1
InChIInChI=1S/C29H43NO2/c1-4-6-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)32-22-21-30(3)29(31)5-2/h5,15,17-20,23-25H,2,4,6-14,16,21-22H2,1,3H3
InChIKeyUIFYLPZPTYWAFK-UHFFFAOYSA-N
MW437.67 g/mol
LogP7.28
Rot. Bonds11

About N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide

N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide (PubChem CID 134244941) has the molecular formula C29H43NO2 and a molecular weight of 437.67 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide
PubChem CID134244941
Molecular FormulaC29H43NO2
Molecular Weight437.67 g/mol
Exact Mass437.33
IUPAC NameN-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCOc1ccc(C2=CCC(C3CCC(CCCCC)CC3)CC2)cc1
InChIInChI=1S/C29H43NO2/c1-4-6-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)32-22-21-30(3)29(31)5-2/h5,15,17-20,23-25H,2,4,6-14,16,21-22H2,1,3H3
InChIKeyUIFYLPZPTYWAFK-UHFFFAOYSA-N
XLogP7.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 57.28
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

3-[2-[4-(2-hydroxyethoxy)phenyl]-5-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]propyl prop-2-enoate
CID 134193880
2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 134246660
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 135214899
pentakis(4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]benzenethiol);pentahydrofluoride
CID 173376232
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
CID 134244992
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
N-methyl-N-[2-[4-(5-pentylpyrimidin-2-yl)phenoxy]ethyl]prop-2-enamide
CID 134245492
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
CID 134246358
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
CID 57220140
2-(hydroxymethyl)prop-2-enal;1-methoxyperoxy-3-methylperoxy-5-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]benzene;prop-2-en-1-ol
CID 142281847

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide (CID 134244941) is N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide is C=CC(=O)N(C)CCOc1ccc(C2=CCC(C3CCC(CCCCC)CC3)CC2)cc1.
What is the InChIKey of N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide?
The InChIKey is UIFYLPZPTYWAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO2/c1-4-6-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)32-22-21-30(3)29(31)5-2/h5,15,17-20,23-25H,2,4,6-14,16,21-22H2,1,3H3.
What are the key properties of N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide?
N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide has a molecular weight of 437.67 g/mol, XLogP of 7.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 134244941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).