propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C21H25N3O3 — CID 70844655

IUPACpropyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C21H25N3O3/c1-4-11-27-21(25)23-15-8-6-7-14(12-15)20-19(22)17-10-9-16(26-3)13-18(17)24(20)5-2/h6-10,12-13H,4-5,11,22H2,1-3H3,(H,23,25)
InChIKeyKIIZIMDFEHYBOQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.88
Rot. Bonds6

About propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 70844655) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID70844655
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namepropyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C21H25N3O3/c1-4-11-27-21(25)23-15-8-6-7-14(12-15)20-19(22)17-10-9-16(26-3)13-18(17)24(20)5-2/h6-10,12-13H,4-5,11,22H2,1-3H3,(H,23,25)
InChIKeyKIIZIMDFEHYBOQ-UHFFFAOYSA-N
XLogP4.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
3-chloropropyl N-[3-(3-amino-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 89024430
2-chloroethyl N-[3-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 89024374
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805366
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
CID 70844186
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 70844655) is propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCCOC(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1.
What is the InChIKey of propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is KIIZIMDFEHYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-11-27-21(25)23-15-8-6-7-14(12-15)20-19(22)17-10-9-16(26-3)13-18(17)24(20)5-2/h6-10,12-13H,4-5,11,22H2,1-3H3,(H,23,25).
What are the key properties of propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70844655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).