2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate

C22H25F2N3O4 — CID 70844442

IUPAC2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
SMILESCCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C22H25F2N3O4/c1-3-10-27-18-13-16(31-21(23)24)8-9-17(18)19(25)20(27)14-4-6-15(7-5-14)26-22(28)30-12-11-29-2/h4-9,13,21H,3,10-12,25H2,1-2H3,(H,26,28)
InChIKeyUQECCYJKCUDVDX-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.10
Rot. Bonds9

About 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate

2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate (PubChem CID 70844442) has the molecular formula C22H25F2N3O4 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
PubChem CID70844442
Molecular FormulaC22H25F2N3O4
Molecular Weight433.46 g/mol
Exact Mass433.18
IUPAC Name2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
SMILESCCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C22H25F2N3O4/c1-3-10-27-18-13-16(31-21(23)24)8-9-17(18)19(25)20(27)14-4-6-15(7-5-14)26-22(28)30-12-11-29-2/h4-9,13,21H,3,10-12,25H2,1-2H3,(H,26,28)
InChIKeyUQECCYJKCUDVDX-UHFFFAOYSA-N
XLogP5.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 161097153
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157420704
N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
CID 70844173
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
methyl N-[3-[3-amino-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 70844450
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 88566470
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
2-chloroethyl N-[3-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 89024374

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate (CID 70844442) is 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate is CCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(N)c2ccc(OC(F)F)cc21.
What is the InChIKey of 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
The InChIKey is UQECCYJKCUDVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4/c1-3-10-27-18-13-16(31-21(23)24)8-9-17(18)19(25)20(27)14-4-6-15(7-5-14)26-22(28)30-12-11-29-2/h4-9,13,21H,3,10-12,25H2,1-2H3,(H,26,28).
What are the key properties of 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate has a molecular weight of 433.46 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70844442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).