2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate

C24H25N3O3 — CID 90389482

IUPAC2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C24H25N3O3/c1-24(2,3)27-23(28)30-14-13-29-17-8-6-7-16(15-17)18-11-12-25-22-21(18)19-9-4-5-10-20(19)26-22/h4-12,15H,13-14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyYJKNXIDWFKWILM-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.29
Rot. Bonds5

About 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate

2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate (PubChem CID 90389482) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate
PubChem CID90389482
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C24H25N3O3/c1-24(2,3)27-23(28)30-14-13-29-17-8-6-7-16(15-17)18-11-12-25-22-21(18)19-9-4-5-10-20(19)26-22/h4-12,15H,13-14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyYJKNXIDWFKWILM-UHFFFAOYSA-N
XLogP5.29
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine
CID 144698247
2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine
CID 78323991
2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine
CID 118674112
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
3-[3-(3-amino-1,2,4-triazol-1-yl)phenoxy]propyl N-tert-butylcarbamate
CID 140550122
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
2-(3-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431953
2-[3-(3-formylphenyl)phenoxy]ethyl N-methylcarbamate
CID 121284156
2-[[3-(3-hydroxy-3-methylbutoxy)phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 25254019
3-[3-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanoic acid
CID 66914187
tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
CID 164563691
2-methyl-5-[3-(10,10,10-trifluorodecoxy)phenyl]-9H-carbazole-4-carboxylic acid
CID 150277072

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate (CID 90389482) is 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1.
What is the InChIKey of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate?
The InChIKey is YJKNXIDWFKWILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-24(2,3)27-23(28)30-14-13-29-17-8-6-7-16(15-17)18-11-12-25-22-21(18)19-9-4-5-10-20(19)26-22/h4-12,15H,13-14H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate?
2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate has a molecular weight of 403.48 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenoxy]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 90389482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).