1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate

C26H29FN2O3 — CID 59426063

IUPAC1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H29FN2O3/c1-3-31-21-13-14-22-23(15-21)29(20-5-4-6-20)25(24(22)27)18-9-11-19(12-10-18)28-26(30)32-16(2)17-7-8-17/h9-17,20H,3-8H2,1-2H3,(H,28,30)
InChIKeyLAXMIKYRJOXFFW-UHFFFAOYSA-N
MW436.53 g/mol
LogP6.92
Rot. Bonds7

About 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate

1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate (PubChem CID 59426063) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate
PubChem CID59426063
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Name1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H29FN2O3/c1-3-31-21-13-14-22-23(15-21)29(20-5-4-6-20)25(24(22)27)18-9-11-19(12-10-18)28-26(30)32-16(2)17-7-8-17/h9-17,20H,3-8H2,1-2H3,(H,28,30)
InChIKeyLAXMIKYRJOXFFW-UHFFFAOYSA-N
XLogP6.92
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-ethylindol-2-yl)phenyl]carbamate
CID 71177421
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
CID 59430567
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
CID 91350018
1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate
CID 59430557
[(1R)-1-cyclopropylethyl] N-[4-[3-amino-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]carbamate
CID 70825981
[(1R)-1-cyclopropylethyl] N-[4-[3-amino-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 70859026
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate
CID 46946038
propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
CID 46946037
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate
CID 46946039
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate
CID 70798065
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate (CID 59426063) is 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate is CCOc1ccc2c(F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate?
The InChIKey is LAXMIKYRJOXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3/c1-3-31-21-13-14-22-23(15-21)29(20-5-4-6-20)25(24(22)27)18-9-11-19(12-10-18)28-26(30)32-16(2)17-7-8-17/h9-17,20H,3-8H2,1-2H3,(H,28,30).
What are the key properties of 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate?
1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate has a molecular weight of 436.53 g/mol, XLogP of 6.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 59426063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).