N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide

C32H45NO — CID 134245513

IUPACN-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCc1ccc(CCc2ccc(C3CCC(CCCCC)CC3)cc2)cc1
InChIInChI=1S/C32H45NO/c1-4-6-7-9-26-17-21-30(22-18-26)31-23-19-29(20-24-31)16-15-28-13-11-27(12-14-28)10-8-25-33(3)32(34)5-2/h5,11-14,19-20,23-24,26,30H,2,4,6-10,15-18,21-22,25H2,1,3H3
InChIKeyMBUIYFKMXAXRKU-UHFFFAOYSA-N
MW459.72 g/mol
LogP7.90
Rot. Bonds13

About N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide

N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide (PubChem CID 134245513) has the molecular formula C32H45NO and a molecular weight of 459.72 g/mol. Its IUPAC name is N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
PubChem CID134245513
Molecular FormulaC32H45NO
Molecular Weight459.72 g/mol
Exact Mass459.35
IUPAC NameN-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCc1ccc(CCc2ccc(C3CCC(CCCCC)CC3)cc2)cc1
InChIInChI=1S/C32H45NO/c1-4-6-7-9-26-17-21-30(22-18-26)31-23-19-29(20-24-31)16-15-28-13-11-27(12-14-28)10-8-25-33(3)32(34)5-2/h5,11-14,19-20,23-24,26,30H,2,4,6-10,15-18,21-22,25H2,1,3H3
InChIKeyMBUIYFKMXAXRKU-UHFFFAOYSA-N
XLogP7.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 134245407
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
N-[3-[4-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]propyl]-N-methylprop-2-enamide
CID 134245530
N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
CID 134246264
N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 134246489
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide (CID 134245513) is N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide is C=CC(=O)N(C)CCCc1ccc(CCc2ccc(C3CCC(CCCCC)CC3)cc2)cc1.
What is the InChIKey of N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide?
The InChIKey is MBUIYFKMXAXRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45NO/c1-4-6-7-9-26-17-21-30(22-18-26)31-23-19-29(20-24-31)16-15-28-13-11-27(12-14-28)10-8-25-33(3)32(34)5-2/h5,11-14,19-20,23-24,26,30H,2,4,6-10,15-18,21-22,25H2,1,3H3.
What are the key properties of N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide?
N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide has a molecular weight of 459.72 g/mol, XLogP of 7.90, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide is sourced from PubChem (CID 134245513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).