2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C23H25N3O3 — CID 58694187

IUPAC2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O3/c1-5-26-21-12-18(28-4)10-11-19(21)20(13-24)22(26)16-6-8-17(9-7-16)25-23(27)29-14-15(2)3/h6-12,15H,5,14H2,1-4H3,(H,25,27)
InChIKeyMGAPJTDWXQPRPX-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.41
Rot. Bonds6

About 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 58694187) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID58694187
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O3/c1-5-26-21-12-18(28-4)10-11-19(21)20(13-24)22(26)16-6-8-17(9-7-16)25-23(27)29-14-15(2)3/h6-12,15H,5,14H2,1-4H3,(H,25,27)
InChIKeyMGAPJTDWXQPRPX-UHFFFAOYSA-N
XLogP5.41
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
CID 58693933
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate
CID 70844069

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 58694187) is 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is MGAPJTDWXQPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-5-26-21-12-18(28-4)10-11-19(21)20(13-24)22(26)16-6-8-17(9-7-16)25-23(27)29-14-15(2)3/h6-12,15H,5,14H2,1-4H3,(H,25,27).
What are the key properties of 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 391.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 58694187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).