2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide

C22H30N4O4 — CID 102168751

IUPAC2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
SMILESCCCCNC(=O)c1cc2c(OC)c(OC)c3cc(C(=O)NCCCC)[nH]c3c2[nH]1
InChIInChI=1S/C22H30N4O4/c1-5-7-9-23-21(27)15-11-13-17(25-15)18-14(20(30-4)19(13)29-3)12-16(26-18)22(28)24-10-8-6-2/h11-12,25-26H,5-10H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJVBAWEVSRPYQKE-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.73
Rot. Bonds10

About 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide

2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide (PubChem CID 102168751) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
PubChem CID102168751
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
SMILESCCCCNC(=O)c1cc2c(OC)c(OC)c3cc(C(=O)NCCCC)[nH]c3c2[nH]1
InChIInChI=1S/C22H30N4O4/c1-5-7-9-23-21(27)15-11-13-17(25-15)18-14(20(30-4)19(13)29-3)12-16(26-18)22(28)24-10-8-6-2/h11-12,25-26H,5-10H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJVBAWEVSRPYQKE-UHFFFAOYSA-N
XLogP3.73
TPSA108.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide with MolForge

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Related Compounds

N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39900401
N-butyl-3,5-diiodo-4-methoxybenzamide
CID 24834302
N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4911389
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39970249
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
CID 121239710
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide
CID 46892802
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55968926

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide?
The IUPAC name of 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide (CID 102168751) is 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide.
What is the SMILES notation for 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide?
The canonical SMILES for 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide is CCCCNC(=O)c1cc2c(OC)c(OC)c3cc(C(=O)NCCCC)[nH]c3c2[nH]1.
What is the InChIKey of 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide?
The InChIKey is JVBAWEVSRPYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-5-7-9-23-21(27)15-11-13-17(25-15)18-14(20(30-4)19(13)29-3)12-16(26-18)22(28)24-10-8-6-2/h11-12,25-26H,5-10H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide?
2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.73, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide is sourced from PubChem (CID 102168751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).