2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate

C16H23N3O3 — CID 70844069

IUPAC2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate
SMILESCCn1c(NC(=O)OCC(C)C)c(N)c2ccc(OC)cc21
InChIInChI=1S/C16H23N3O3/c1-5-19-13-8-11(21-4)6-7-12(13)14(17)15(19)18-16(20)22-9-10(2)3/h6-8,10H,5,9,17H2,1-4H3,(H,18,20)
InChIKeyMLCFOPJHBPHFDT-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.46
Rot. Bonds5

About 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate

2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate (PubChem CID 70844069) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate
PubChem CID70844069
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate
SMILESCCn1c(NC(=O)OCC(C)C)c(N)c2ccc(OC)cc21
InChIInChI=1S/C16H23N3O3/c1-5-19-13-8-11(21-4)6-7-12(13)14(17)15(19)18-16(20)22-9-10(2)3/h6-8,10H,5,9,17H2,1-4H3,(H,18,20)
InChIKeyMLCFOPJHBPHFDT-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
CID 70844884
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine
CID 70844613
2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 70844575
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea
CID 70844328
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate (CID 70844069) is 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate is CCn1c(NC(=O)OCC(C)C)c(N)c2ccc(OC)cc21.
What is the InChIKey of 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate?
The InChIKey is MLCFOPJHBPHFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-19-13-8-11(21-4)6-7-12(13)14(17)15(19)18-16(20)22-9-10(2)3/h6-8,10H,5,9,17H2,1-4H3,(H,18,20).
What are the key properties of 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate?
2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate has a molecular weight of 305.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate is sourced from PubChem (CID 70844069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).