propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate

C26H30N4O3 — CID 143184388

IUPACpropyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CCC)c1
InChIInChI=1S/C26H30N4O3/c1-3-10-30-24-9-8-21(29-11-14-32-15-12-29)17-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-13-4-2/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31)
InChIKeyWRHFCACGSIWAOM-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.39
Rot. Bonds7

About propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate

propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate (PubChem CID 143184388) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate
PubChem CID143184388
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Namepropyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CCC)c1
InChIInChI=1S/C26H30N4O3/c1-3-10-30-24-9-8-21(29-11-14-32-15-12-29)17-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-13-4-2/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31)
InChIKeyWRHFCACGSIWAOM-UHFFFAOYSA-N
XLogP5.39
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 158190284
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;2-methoxyethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;prop-2-enyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;propyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 159344054
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
N-[4-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide
CID 58694526
propyl N-[3-[6-[amino(difluoro)methoxy]-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 143184657
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
CID 58039098
1-[3-(3-cyano-5-methoxy-1-propylindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143184930
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate?
The IUPAC name of propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate (CID 143184388) is propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate?
The canonical SMILES for propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate is CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CCC)c1.
What is the InChIKey of propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate?
The InChIKey is WRHFCACGSIWAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-10-30-24-9-8-21(29-11-14-32-15-12-29)17-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-13-4-2/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31).
What are the key properties of propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate?
propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate has a molecular weight of 446.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-(3-cyano-5-morpholin-4-yl-1-propylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 143184388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).