ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate

C23H29N3O3 — CID 70805366

IUPACethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCCCn1c(-c2cccc(NC(=O)OCC)c2)c(N)c2ccc(OCC)cc21
InChIInChI=1S/C23H29N3O3/c1-4-7-13-26-20-15-18(28-5-2)11-12-19(20)21(24)22(26)16-9-8-10-17(14-16)25-23(27)29-6-3/h8-12,14-15H,4-7,13,24H2,1-3H3,(H,25,27)
InChIKeyVTRRPMPMOQBKRW-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.66
Rot. Bonds8

About ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate

ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 70805366) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
PubChem CID70805366
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCCCn1c(-c2cccc(NC(=O)OCC)c2)c(N)c2ccc(OCC)cc21
InChIInChI=1S/C23H29N3O3/c1-4-7-13-26-20-15-18(28-5-2)11-12-19(20)21(24)22(26)16-9-8-10-17(14-16)25-23(27)29-6-3/h8-12,14-15H,4-7,13,24H2,1-3H3,(H,25,27)
InChIKeyVTRRPMPMOQBKRW-UHFFFAOYSA-N
XLogP5.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine
CID 143183970
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
2-chloroethyl N-[3-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 89024374
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
methyl N-[3-[3-amino-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 70844450
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
3-chloropropyl N-[3-(3-amino-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 89024430

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate (CID 70805366) is ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate is CCCCn1c(-c2cccc(NC(=O)OCC)c2)c(N)c2ccc(OCC)cc21.
What is the InChIKey of ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The InChIKey is VTRRPMPMOQBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-7-13-26-20-15-18(28-5-2)11-12-19(20)21(24)22(26)16-9-8-10-17(14-16)25-23(27)29-6-3/h8-12,14-15H,4-7,13,24H2,1-3H3,(H,25,27).
What are the key properties of ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate?
ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70805366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).