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

C24H28N4O4 — CID 70825780

IUPACpropan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC(N)=O)cc3n2CC2CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-14(2)32-24(30)27-17-7-5-16(6-8-17)23-22(26)19-10-9-18(31-13-21(25)29)11-20(19)28(23)12-15-3-4-15/h5-11,14-15H,3-4,12-13,26H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeySOPRCVHDHZAPAN-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.12
Rot. Bonds8

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

propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate (PubChem CID 70825780) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
PubChem CID70825780
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namepropan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC(N)=O)cc3n2CC2CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-14(2)32-24(30)27-17-7-5-16(6-8-17)23-22(26)19-10-9-18(31-13-21(25)29)11-20(19)28(23)12-15-3-4-15/h5-11,14-15H,3-4,12-13,26H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeySOPRCVHDHZAPAN-UHFFFAOYSA-N
XLogP4.12
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527
propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
CID 70858988
1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 91342549
propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate
CID 70859385
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]carbamate
CID 70825602
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate
CID 71177505
1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea
CID 70825538
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70844642
[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid
CID 141210495
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 71176789
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
propan-2-yl N-[4-[3-amino-6-[(Z)-3,4-bis(methylamino)but-3-enoxy]-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 71177518

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate (CID 70825780) is propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCC(N)=O)cc3n2CC2CC2)cc1.
What is the InChIKey of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate?
The InChIKey is SOPRCVHDHZAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14(2)32-24(30)27-17-7-5-16(6-8-17)23-22(26)19-10-9-18(31-13-21(25)29)11-20(19)28(23)12-15-3-4-15/h5-11,14-15H,3-4,12-13,26H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate has a molecular weight of 436.51 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70825780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).