propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate

C21H21N3O3 — CID 143183965

IUPACpropyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C)c1
InChIInChI=1S/C21H21N3O3/c1-4-10-27-21(25)23-15-7-5-6-14(11-15)20-18(13-22)17-9-8-16(26-3)12-19(17)24(20)2/h5-9,11-12H,4,10H2,1-3H3,(H,23,25)
InChIKeyDZFYBNWUTWIHSK-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.68
Rot. Bonds5

About propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate

propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate (PubChem CID 143183965) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
PubChem CID143183965
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namepropyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C)c1
InChIInChI=1S/C21H21N3O3/c1-4-10-27-21(25)23-15-7-5-6-14(11-15)20-18(13-22)17-9-8-16(26-3)12-19(17)24(20)2/h5-9,11-12H,4,10H2,1-3H3,(H,23,25)
InChIKeyDZFYBNWUTWIHSK-UHFFFAOYSA-N
XLogP4.68
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 58693880
ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694204
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
ethyl N-[3-[3-cyano-6-(3-imidazol-1-ylpropoxy)-1-methylindol-2-yl]phenyl]carbamate
CID 143184893
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
propyl N-[3-[6-[amino(difluoro)methoxy]-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 143184657
N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
CID 58693933
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
CID 58039098

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The IUPAC name of propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate (CID 143183965) is propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The canonical SMILES for propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate is CCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C)c1.
What is the InChIKey of propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The InChIKey is DZFYBNWUTWIHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-10-27-21(25)23-15-7-5-6-14(11-15)20-18(13-22)17-9-8-16(26-3)12-19(17)24(20)2/h5-9,11-12H,4,10H2,1-3H3,(H,23,25).
What are the key properties of propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 143183965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).