ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate

C28H30N2O4 — CID 54207285

IUPACethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C28H30N2O4/c1-3-33-28(31)30-23-11-8-21(9-12-23)25(18-20-14-16-29-17-15-20)22-10-13-26(32-2)27(19-22)34-24-6-4-5-7-24/h8-19,24H,3-7H2,1-2H3,(H,30,31)
InChIKeyPTJTYBXCAAQCFS-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.57
Rot. Bonds8

About ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate

ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate (PubChem CID 54207285) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
PubChem CID54207285
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Nameethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C28H30N2O4/c1-3-33-28(31)30-23-11-8-21(9-12-23)25(18-20-14-16-29-17-15-20)22-10-13-26(32-2)27(19-22)34-24-6-4-5-7-24/h8-19,24H,3-7H2,1-2H3,(H,30,31)
InChIKeyPTJTYBXCAAQCFS-UHFFFAOYSA-N
XLogP6.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]pyridine
CID 54153043
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
CID 54319505
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
CID 70065368
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 142654604
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]benzoic acid
CID 54106348
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
CID 70076005
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate (CID 54207285) is ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1.
What is the InChIKey of ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate?
The InChIKey is PTJTYBXCAAQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-3-33-28(31)30-23-11-8-21(9-12-23)25(18-20-14-16-29-17-15-20)22-10-13-26(32-2)27(19-22)34-24-6-4-5-7-24/h8-19,24H,3-7H2,1-2H3,(H,30,31).
What are the key properties of ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate?
ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate has a molecular weight of 458.56 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate is sourced from PubChem (CID 54207285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).