propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate

C27H32N4O4 — CID 70859385

IUPACpropan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(C(=O)N4CCOCC4)cc3n2CC2CC2)cc1
InChIInChI=1S/C27H32N4O4/c1-17(2)35-27(33)29-21-8-5-19(6-9-21)25-24(28)22-10-7-20(26(32)30-11-13-34-14-12-30)15-23(22)31(25)16-18-3-4-18/h5-10,15,17-18H,3-4,11-14,16,28H2,1-2H3,(H,29,33)
InChIKeyYFDVHPLBDSYMIK-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.73
Rot. Bonds6

About propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate (PubChem CID 70859385) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate
PubChem CID70859385
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Namepropan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(C(=O)N4CCOCC4)cc3n2CC2CC2)cc1
InChIInChI=1S/C27H32N4O4/c1-17(2)35-27(33)29-21-8-5-19(6-9-21)25-24(28)22-10-7-20(26(32)30-11-13-34-14-12-30)15-23(22)31(25)16-18-3-4-18/h5-10,15,17-18H,3-4,11-14,16,28H2,1-2H3,(H,29,33)
InChIKeyYFDVHPLBDSYMIK-UHFFFAOYSA-N
XLogP4.73
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 70825780
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate
CID 71177505
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate
CID 70825602
[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-morpholin-4-ylmethanone
CID 71176585
propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
CID 70858988
propan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethylsulfinylindol-2-yl)phenyl]carbamate
CID 71177353
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate
CID 59425147
propan-2-yl N-[4-[3-amino-1-cyclobutyl-5-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate
CID 70859314
[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-amino-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 70826212
2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 88566470
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]propane-1-sulfonamide;cyclobutyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methane;propan-2-yl N-[4-[3-cyano-1-(cyclobutylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
CID 161367435

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate (CID 70859385) is propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(C(=O)N4CCOCC4)cc3n2CC2CC2)cc1.
What is the InChIKey of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
The InChIKey is YFDVHPLBDSYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(2)35-27(33)29-21-8-5-19(6-9-21)25-24(28)22-10-7-20(26(32)30-11-13-34-14-12-30)15-23(22)31(25)16-18-3-4-18/h5-10,15,17-18H,3-4,11-14,16,28H2,1-2H3,(H,29,33).
What are the key properties of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate has a molecular weight of 476.58 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70859385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).