N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C25H29N3O2 — CID 97361339

IUPACN-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2cccc(C)c2C)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C25H29N3O2/c1-16(2)28-21-12-7-6-10-19(21)24-22(28)15-23(27(24)13-14-30-5)25(29)26-20-11-8-9-17(3)18(20)4/h6-12,15-16H,13-14H2,1-5H3,(H,26,29)
InChIKeyZMOZNCSNULDXQM-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.69
Rot. Bonds6

About N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361339) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361339
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2cccc(C)c2C)cc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C25H29N3O2/c1-16(2)28-21-12-7-6-10-19(21)24-22(28)15-23(27(24)13-14-30-5)25(29)26-20-11-8-9-17(3)18(20)4/h6-12,15-16H,13-14H2,1-5H3,(H,26,29)
InChIKeyZMOZNCSNULDXQM-UHFFFAOYSA-N
XLogP5.69
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361332
1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
N-(2,3-dimethylphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361292
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155846697
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(oxazinan-2-yl)methanone
CID 97361353
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850470
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea
CID 22577946
N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42209028
2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 20877188

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361339) is N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is COCCn1c(C(=O)Nc2cccc(C)c2C)cc2c1c1ccccc1n2C(C)C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is ZMOZNCSNULDXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-16(2)28-21-12-7-6-10-19(21)24-22(28)15-23(27(24)13-14-30-5)25(29)26-20-11-8-9-17(3)18(20)4/h6-12,15-16H,13-14H2,1-5H3,(H,26,29).
What are the key properties of N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).