1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C33H39N3O5 — CID 59426136

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C33H39N3O5/c1-20(21-5-6-21)40-33(38)35-24-9-7-22(8-10-24)31-30(32(37)34-23-11-12-23)28-14-13-27(41-26-15-17-39-18-16-26)19-29(28)36(31)25-3-2-4-25/h7-10,13-14,19-21,23,25-26H,2-6,11-12,15-18H2,1H3,(H,34,37)(H,35,38)
InChIKeyLXQKUTKINGQTAB-UHFFFAOYSA-N
MW557.69 g/mol
LogP6.83
Rot. Bonds9

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 59426136) has the molecular formula C33H39N3O5 and a molecular weight of 557.69 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID59426136
Molecular FormulaC33H39N3O5
Molecular Weight557.69 g/mol
Exact Mass557.29
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C33H39N3O5/c1-20(21-5-6-21)40-33(38)35-24-9-7-22(8-10-24)31-30(32(37)34-23-11-12-23)28-14-13-27(41-26-15-17-39-18-16-26)19-29(28)36(31)25-3-2-4-25/h7-10,13-14,19-21,23,25-26H,2-6,11-12,15-18H2,1H3,(H,34,37)(H,35,38)
InChIKeyLXQKUTKINGQTAB-UHFFFAOYSA-N
XLogP6.83
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.69
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425516
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425576
1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 59425514
propan-2-yl N-[4-[3-(1-amino-3-methyliminoprop-1-enyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 173496535
1-cyclobutylethyl N-[4-[3-amino-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
CID 70826222
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
CID 59425813
2,4-dimethylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425190
1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 59425421
[(1R)-1-phenylethyl] N-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 71177365
[(2S)-butan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59606515
1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 71177339
1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 159195762

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 59426136) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is LXQKUTKINGQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O5/c1-20(21-5-6-21)40-33(38)35-24-9-7-22(8-10-24)31-30(32(37)34-23-11-12-23)28-14-13-27(41-26-15-17-39-18-16-26)19-29(28)36(31)25-3-2-4-25/h7-10,13-14,19-21,23,25-26H,2-6,11-12,15-18H2,1H3,(H,34,37)(H,35,38).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 557.69 g/mol, XLogP of 6.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59426136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).