2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

C26H33FN4O4 — CID 88566470

IUPAC2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(N)c2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C26H33FN4O4/c1-2-31-23-18-21(34-14-3-11-30-12-16-33-17-13-30)8-9-22(23)24(28)25(31)19-4-6-20(7-5-19)29-26(32)35-15-10-27/h4-9,18H,2-3,10-17,28H2,1H3,(H,29,32)
InChIKeyRXIUBITUGYVXAX-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.53
Rot. Bonds10

About 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (PubChem CID 88566470) has the molecular formula C26H33FN4O4 and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
PubChem CID88566470
Molecular FormulaC26H33FN4O4
Molecular Weight484.57 g/mol
Exact Mass484.25
IUPAC Name2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(N)c2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C26H33FN4O4/c1-2-31-23-18-21(34-14-3-11-30-12-16-33-17-13-30)8-9-22(23)24(28)25(31)19-4-6-20(7-5-19)29-26(32)35-15-10-27/h4-9,18H,2-3,10-17,28H2,1H3,(H,29,32)
InChIKeyRXIUBITUGYVXAX-UHFFFAOYSA-N
XLogP4.53
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 143184497
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine
CID 71176666
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 70844442
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide
CID 59426014
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58039115
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
CID 100700350

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (CID 88566470) is 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(N)c2ccc(OCCCN3CCOCC3)cc21.
What is the InChIKey of 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is RXIUBITUGYVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O4/c1-2-31-23-18-21(34-14-3-11-30-12-16-33-17-13-30)8-9-22(23)24(28)25(31)19-4-6-20(7-5-19)29-26(32)35-15-10-27/h4-9,18H,2-3,10-17,28H2,1H3,(H,29,32).
What are the key properties of 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 484.57 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 88566470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).