ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate

C22H29N3O4 — CID 75449793

IUPACethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1
InChIInChI=1S/C22H29N3O4/c1-3-29-22(27)24(2)19-11-9-18(10-12-19)23-21(26)25(15-17-13-14-28-16-17)20-7-5-4-6-8-20/h9-14,16,20H,3-8,15H2,1-2H3,(H,23,26)
InChIKeyIOKQPXXZEZZLQL-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.24
Rot. Bonds6

About ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate

ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate (PubChem CID 75449793) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate
PubChem CID75449793
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Nameethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1
InChIInChI=1S/C22H29N3O4/c1-3-29-22(27)24(2)19-11-9-18(10-12-19)23-21(26)25(15-17-13-14-28-16-17)20-7-5-4-6-8-20/h9-14,16,20H,3-8,15H2,1-2H3,(H,23,26)
InChIKeyIOKQPXXZEZZLQL-UHFFFAOYSA-N
XLogP5.24
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate (CID 75449793) is ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1.
What is the InChIKey of ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate?
The InChIKey is IOKQPXXZEZZLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-29-22(27)24(2)19-11-9-18(10-12-19)23-21(26)25(15-17-13-14-28-16-17)20-7-5-4-6-8-20/h9-14,16,20H,3-8,15H2,1-2H3,(H,23,26).
What are the key properties of ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate?
ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate has a molecular weight of 399.49 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 75449793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).