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

C23H25N3O2 — CID 97361374

IUPACN-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C
InChIInChI=1S/C23H25N3O2/c1-15(2)26-18-11-7-6-10-17(18)22-19(26)13-20(25(22)3)23(27)24-14-16-9-5-8-12-21(16)28-4/h5-13,15H,14H2,1-4H3,(H,24,27)
InChIKeyZYPGUWJCRZQTAS-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.65
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97361374) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97361374
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C
InChIInChI=1S/C23H25N3O2/c1-15(2)26-18-11-7-6-10-17(18)22-19(26)13-20(25(22)3)23(27)24-14-16-9-5-8-12-21(16)28-4/h5-13,15H,14H2,1-4H3,(H,24,27)
InChIKeyZYPGUWJCRZQTAS-UHFFFAOYSA-N
XLogP4.65
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
N-ethyl-1-methyl-4-propan-2-yl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441936
1-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155838473
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 39314062
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441976
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97361374) is N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is COc1ccccc1CNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is ZYPGUWJCRZQTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)26-18-11-7-6-10-17(18)22-19(26)13-20(25(22)3)23(27)24-14-16-9-5-8-12-21(16)28-4/h5-13,15H,14H2,1-4H3,(H,24,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97361374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).