4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide

C25H29N3O3 — CID 70825684

IUPAC4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide
SMILESCOCCOc1ccc2c(N)c(-c3ccc(C(=O)NC4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29N3O3/c1-30-13-14-31-20-11-12-21-22(15-20)28(19-3-2-4-19)24(23(21)26)16-5-7-17(8-6-16)25(29)27-18-9-10-18/h5-8,11-12,15,18-19H,2-4,9-10,13-14,26H2,1H3,(H,27,29)
InChIKeyDTRIECNPNAWDCX-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.53
Rot. Bonds8

About 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide

4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide (PubChem CID 70825684) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide
PubChem CID70825684
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide
SMILESCOCCOc1ccc2c(N)c(-c3ccc(C(=O)NC4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29N3O3/c1-30-13-14-31-20-11-12-21-22(15-20)28(19-3-2-4-19)24(23(21)26)16-5-7-17(8-6-16)25(29)27-18-9-10-18/h5-8,11-12,15,18-19H,2-4,9-10,13-14,26H2,1H3,(H,27,29)
InChIKeyDTRIECNPNAWDCX-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 70859284
1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 71177339
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527
1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
CID 91127779
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-[2-(1-ethylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 70825578
1-cyclopropylethyl N-[4-[3-amino-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 70826178
cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425395

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide (CID 70825684) is 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide is COCCOc1ccc2c(N)c(-c3ccc(C(=O)NC4CC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide?
The InChIKey is DTRIECNPNAWDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-30-13-14-31-20-11-12-21-22(15-20)28(19-3-2-4-19)24(23(21)26)16-5-7-17(8-6-16)25(29)27-18-9-10-18/h5-8,11-12,15,18-19H,2-4,9-10,13-14,26H2,1H3,(H,27,29).
What are the key properties of 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide?
4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide has a molecular weight of 419.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 70825684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).