N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

C19H28N2O5 — CID 39900401

IUPACN-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCCCOCCCNC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1
InChIInChI=1S/C19H28N2O5/c1-5-6-9-26-10-7-8-20-19(22)14-11-13-15(23-2)12-16(24-3)18(25-4)17(13)21-14/h11-12,21H,5-10H2,1-4H3,(H,20,22)
InChIKeyOCBUHWWDWQNWGM-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.13
Rot. Bonds11

About N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 39900401) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID39900401
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCCCOCCCNC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1
InChIInChI=1S/C19H28N2O5/c1-5-6-9-26-10-7-8-20-19(22)14-11-13-15(23-2)12-16(24-3)18(25-4)17(13)21-14/h11-12,21H,5-10H2,1-4H3,(H,20,22)
InChIKeyOCBUHWWDWQNWGM-UHFFFAOYSA-N
XLogP3.13
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
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,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
CID 102168751
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55968926
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39970249
N-[2-(4-chlorophenyl)sulfanylethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39943500
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4911389
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 31953617
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 60514945
5-methoxy-N-(3-methoxypropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 71692302

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 39900401) is N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is CCCCOCCCNC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1.
What is the InChIKey of N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is OCBUHWWDWQNWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-6-9-26-10-7-8-20-19(22)14-11-13-15(23-2)12-16(24-3)18(25-4)17(13)21-14/h11-12,21H,5-10H2,1-4H3,(H,20,22).
What are the key properties of N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 39900401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).