ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate

C23H29N3O4 — CID 70844884

IUPACethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2c(N)c3ccc(OC(C)C)cc3n2CC)ccc1OC
InChIInChI=1S/C23H29N3O4/c1-6-26-19-13-16(30-14(3)4)9-10-17(19)21(24)22(26)15-8-11-20(28-5)18(12-15)25-23(27)29-7-2/h8-14H,6-7,24H2,1-5H3,(H,25,27)
InChIKeyJMLCEWGNGGJTDL-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.27
Rot. Bonds7

About ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate

ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate (PubChem CID 70844884) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
PubChem CID70844884
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nameethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(-c2c(N)c3ccc(OC(C)C)cc3n2CC)ccc1OC
InChIInChI=1S/C23H29N3O4/c1-6-26-19-13-16(30-14(3)4)9-10-17(19)21(24)22(26)15-8-11-20(28-5)18(12-15)25-23(27)29-7-2/h8-14H,6-7,24H2,1-5H3,(H,25,27)
InChIKeyJMLCEWGNGGJTDL-UHFFFAOYSA-N
XLogP5.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea
CID 70844328
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate
CID 70844069
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805366
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine
CID 70844181
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;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
CID 162082963
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
The IUPAC name of ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate (CID 70844884) is ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
The canonical SMILES for ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate is CCOC(=O)Nc1cc(-c2c(N)c3ccc(OC(C)C)cc3n2CC)ccc1OC.
What is the InChIKey of ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
The InChIKey is JMLCEWGNGGJTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-6-26-19-13-16(30-14(3)4)9-10-17(19)21(24)22(26)15-8-11-20(28-5)18(12-15)25-23(27)29-7-2/h8-14H,6-7,24H2,1-5H3,(H,25,27).
What are the key properties of ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate has a molecular weight of 411.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 70844884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).