[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate

C33H40N2O4 — CID 155816704

IUPAC[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(/C(=C(/C)Cc2ccc(OC)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C33H40N2O4/c1-4-34-33(36)39-31-18-12-28(13-19-31)32(25(2)24-26-8-14-29(37-3)15-9-26)27-10-16-30(17-11-27)38-23-22-35-20-6-5-7-21-35/h8-19H,4-7,20-24H2,1-3H3,(H,34,36)/b32-25-
InChIKeyDSIIXQSLWVOSJV-MKCFTUBBSA-N
MW528.69 g/mol
LogP6.73
Rot. Bonds11

About [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate

[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate (PubChem CID 155816704) has the molecular formula C33H40N2O4 and a molecular weight of 528.69 g/mol. Its IUPAC name is [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
PubChem CID155816704
Molecular FormulaC33H40N2O4
Molecular Weight528.69 g/mol
Exact Mass528.30
IUPAC Name[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(/C(=C(/C)Cc2ccc(OC)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C33H40N2O4/c1-4-34-33(36)39-31-18-12-28(13-19-31)32(25(2)24-26-8-14-29(37-3)15-9-26)27-10-16-30(17-11-27)38-23-22-35-20-6-5-7-21-35/h8-19H,4-7,20-24H2,1-3H3,(H,34,36)/b32-25-
InChIKeyDSIIXQSLWVOSJV-MKCFTUBBSA-N
XLogP6.73
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.69
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
The IUPAC name of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate (CID 155816704) is [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
The canonical SMILES for [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(/C(=C(/C)Cc2ccc(OC)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
The InChIKey is DSIIXQSLWVOSJV-MKCFTUBBSA-N. The full InChI is InChI=1S/C33H40N2O4/c1-4-34-33(36)39-31-18-12-28(13-19-31)32(25(2)24-26-8-14-29(37-3)15-9-26)27-10-16-30(17-11-27)38-23-22-35-20-6-5-7-21-35/h8-19H,4-7,20-24H2,1-3H3,(H,34,36)/b32-25-.
What are the key properties of [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate?
[4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate has a molecular weight of 528.69 g/mol, XLogP of 6.73, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-3-(4-methoxyphenyl)-2-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-ethylcarbamate is sourced from PubChem (CID 155816704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).