propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate

C21H25N3O3 — CID 70858988

IUPACpropan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C)c2c1
InChIInChI=1S/C21H25N3O3/c1-5-26-16-10-11-17-18(12-16)24(4)20(19(17)22)14-6-8-15(9-7-14)23-21(25)27-13(2)3/h6-13H,5,22H2,1-4H3,(H,23,25)
InChIKeyFSPNZHNBBAKABT-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.78
Rot. Bonds5

About propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate

propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate (PubChem CID 70858988) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
PubChem CID70858988
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namepropan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C)c2c1
InChIInChI=1S/C21H25N3O3/c1-5-26-16-10-11-17-18(12-16)24(4)20(19(17)22)14-6-8-15(9-7-14)23-21(25)27-13(2)3/h6-13H,5,22H2,1-4H3,(H,23,25)
InChIKeyFSPNZHNBBAKABT-UHFFFAOYSA-N
XLogP4.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea
CID 70844333
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527
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-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70844642
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
CID 91350018
propan-2-yl N-[4-[3-amino-6-[(Z)-3,4-bis(methylamino)but-3-enoxy]-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 71177518
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 71176789
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 70825578
1-cyclopropylethyl N-[4-[3-amino-1-(cyclopropylmethyl)-6-[2-(1,3-dihydrotetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 91342549

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate (CID 70858988) is propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate is CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C)c2c1.
What is the InChIKey of propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate?
The InChIKey is FSPNZHNBBAKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-26-16-10-11-17-18(12-16)24(4)20(19(17)22)14-6-8-15(9-7-14)23-21(25)27-13(2)3/h6-13H,5,22H2,1-4H3,(H,23,25).
What are the key properties of propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate?
propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70858988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).