benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate

C28H32N4O4 — CID 91126871

IUPACbenzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1OCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C28H32N4O4/c1-22-12-13-25(30-27(33)29-24-10-6-3-7-11-24)20-26(22)35-19-18-31-14-16-32(17-15-31)28(34)36-21-23-8-4-2-5-9-23/h2-13,20H,14-19,21H2,1H3,(H2,29,30,33)
InChIKeyYUFMQJJZDOPQIZ-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.97
Rot. Bonds8

About benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate

benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate (PubChem CID 91126871) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate
PubChem CID91126871
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Namebenzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1OCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C28H32N4O4/c1-22-12-13-25(30-27(33)29-24-10-6-3-7-11-24)20-26(22)35-19-18-31-14-16-32(17-15-31)28(34)36-21-23-8-4-2-5-9-23/h2-13,20H,14-19,21H2,1H3,(H2,29,30,33)
InChIKeyYUFMQJJZDOPQIZ-UHFFFAOYSA-N
XLogP4.97
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
benzyl 4-[2-(4-acetamido-2-butoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 70956156
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
CID 166694268
benzyl aziridine-1-carboxylate;silane
CID 158496499
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-methyl-3-(2-piperazin-1-ylethoxy)phenyl]urea
CID 57403402
CID 143025575
CID 143025575
benzyl 4-(3-oxopropyl)piperazine-1-carboxylate
CID 87851629
benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
CID 20787792
benzyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CID 63308848

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate (CID 91126871) is benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate is Cc1ccc(NC(=O)Nc2ccccc2)cc1OCCN1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate?
The InChIKey is YUFMQJJZDOPQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-22-12-13-25(30-27(33)29-24-10-6-3-7-11-24)20-26(22)35-19-18-31-14-16-32(17-15-31)28(34)36-21-23-8-4-2-5-9-23/h2-13,20H,14-19,21H2,1H3,(H2,29,30,33).
What are the key properties of benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate?
benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate has a molecular weight of 488.59 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 91126871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).