2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide

C21H28N4O3 — CID 97361407

IUPAC2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCOCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C
InChIInChI=1S/C21H28N4O3/c1-14(2)24-16-10-7-6-9-15(16)19-17(24)13-18(25(19)21(27)23(3)4)20(26)22-11-8-12-28-5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,22,26)
InChIKeyBYCAXVOLDVRGSN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.47
Rot. Bonds6

About 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide

2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 97361407) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID97361407
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCOCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C
InChIInChI=1S/C21H28N4O3/c1-14(2)24-16-10-7-6-9-15(16)19-17(24)13-18(25(19)21(27)23(3)4)20(26)22-11-8-12-28-5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,22,26)
InChIKeyBYCAXVOLDVRGSN-UHFFFAOYSA-N
XLogP3.47
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361388
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]indole-2-carboxylic acid
CID 124544362
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 134079752
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361270
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441908
N-(3-fluorophenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361332

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 97361407) is 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is COCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C.
What is the InChIKey of 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is BYCAXVOLDVRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14(2)24-16-10-7-6-9-15(16)19-17(24)13-18(25(19)21(27)23(3)4)20(26)22-11-8-12-28-5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,22,26).
What are the key properties of 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 97361407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).