benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate

C20H24N2O3 — CID 103392743

IUPACbenzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
SMILESCCOc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-24-19-10-8-16(9-11-19)21-17-12-18(13-17)22-20(23)25-14-15-6-4-3-5-7-15/h3-11,17-18,21H,2,12-14H2,1H3,(H,22,23)
InChIKeyHWVBZMOMESXHFB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.95
Rot. Bonds7

About benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate

benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate (PubChem CID 103392743) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
PubChem CID103392743
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namebenzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
SMILESCCOc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-24-19-10-8-16(9-11-19)21-17-12-18(13-17)22-20(23)25-14-15-6-4-3-5-7-15/h3-11,17-18,21H,2,12-14H2,1H3,(H,22,23)
InChIKeyHWVBZMOMESXHFB-UHFFFAOYSA-N
XLogP3.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-[4-(cyanomethoxy)anilino]cyclobutyl]carbamate
CID 103392875
benzyl N-[3-[(6-ethoxy-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393572
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
CID 103393137
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate (CID 103392743) is benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate is CCOc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1.
What is the InChIKey of benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate?
The InChIKey is HWVBZMOMESXHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-24-19-10-8-16(9-11-19)21-17-12-18(13-17)22-20(23)25-14-15-6-4-3-5-7-15/h3-11,17-18,21H,2,12-14H2,1H3,(H,22,23).
What are the key properties of benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate?
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).