N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide

C17H25N3O4 — CID 4911389

IUPACN-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)NCCCN(C)C)cc2c(OC)c1OC
InChIInChI=1S/C17H25N3O4/c1-20(2)8-6-7-18-17(21)13-9-11-12(19-13)10-14(22-3)16(24-5)15(11)23-4/h9-10,19H,6-8H2,1-5H3,(H,18,21)
InChIKeyWOYMHXREQQDBRQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.88
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide

N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide (PubChem CID 4911389) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
PubChem CID4911389
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)NCCCN(C)C)cc2c(OC)c1OC
InChIInChI=1S/C17H25N3O4/c1-20(2)8-6-7-18-17(21)13-9-11-12(19-13)10-14(22-3)16(24-5)15(11)23-4/h9-10,19H,6-8H2,1-5H3,(H,18,21)
InChIKeyWOYMHXREQQDBRQ-UHFFFAOYSA-N
XLogP1.88
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.88
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

N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
CID 102168751
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39900401
N-(1-adamantyl)-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4898756
4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 164547060
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
4,5,6-trimethoxy-N-[3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 4975849
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 135651324
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 6878850

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide (CID 4911389) is N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide is COc1cc2[nH]c(C(=O)NCCCN(C)C)cc2c(OC)c1OC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is WOYMHXREQQDBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-20(2)8-6-7-18-17(21)13-9-11-12(19-13)10-14(22-3)16(24-5)15(11)23-4/h9-10,19H,6-8H2,1-5H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 4911389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).