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

C21H23N3O3 — CID 89024519

IUPACprop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C21H23N3O3/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/h4,6-10,12-13H,1,5,11,22H2,2-3H3,(H,23,25)
InChIKeyTVTXPKPYVSRJIR-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.65
Rot. Bonds6

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

prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 89024519) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID89024519
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameprop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C21H23N3O3/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/h4,6-10,12-13H,1,5,11,22H2,2-3H3,(H,23,25)
InChIKeyTVTXPKPYVSRJIR-UHFFFAOYSA-N
XLogP4.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
2-chloroethyl N-[3-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 89024374
3-chloropropyl N-[3-(3-amino-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 89024430
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
CID 70844186
ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805366
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
methyl N-[3-[3-amino-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 70844450

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 89024519) is prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is C=CCOC(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1.
What is the InChIKey of prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is TVTXPKPYVSRJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/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/h4,6-10,12-13H,1,5,11,22H2,2-3H3,(H,23,25).
What are the key properties of prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 365.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 89024519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).