dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium

C21H26N3O2+ — CID 7346149

IUPACdimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium
SMILESCc1cccc(Oc2ccc3c(c2)cc(C(=O)NCC[NH+](C)C)n3C)c1
InChIInChI=1S/C21H25N3O2/c1-15-6-5-7-17(12-15)26-18-8-9-19-16(13-18)14-20(24(19)4)21(25)22-10-11-23(2)3/h5-9,12-14H,10-11H2,1-4H3,(H,22,25)/p+1
InChIKeyGAFICYAKUWYCMO-UHFFFAOYSA-O
MW352.46 g/mol
LogP2.15
Rot. Bonds6

About dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium

dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium (PubChem CID 7346149) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium
PubChem CID7346149
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Namedimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium
SMILESCc1cccc(Oc2ccc3c(c2)cc(C(=O)NCC[NH+](C)C)n3C)c1
InChIInChI=1S/C21H25N3O2/c1-15-6-5-7-17(12-15)26-18-8-9-19-16(13-18)14-20(24(19)4)21(25)22-10-11-23(2)3/h5-9,12-14H,10-11H2,1-4H3,(H,22,25)/p+1
InChIKeyGAFICYAKUWYCMO-UHFFFAOYSA-O
XLogP2.15
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenoxy)indole-2-carboxamide
CID 51362396
N-[2-(diethylamino)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 7276879
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
dimethyl-[2-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]ethyl]azanium
CID 8660470
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
CID 70736168
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 72891753
5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide
CID 70778357
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975
4-bromo-1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrole-2-carboxamide
CID 60698250

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium (CID 7346149) is dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium is Cc1cccc(Oc2ccc3c(c2)cc(C(=O)NCC[NH+](C)C)n3C)c1.
What is the InChIKey of dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium?
The InChIKey is GAFICYAKUWYCMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O2/c1-15-6-5-7-17(12-15)26-18-8-9-19-16(13-18)14-20(24(19)4)21(25)22-10-11-23(2)3/h5-9,12-14H,10-11H2,1-4H3,(H,22,25)/p+1.
What are the key properties of dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium?
dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium has a molecular weight of 352.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium is sourced from PubChem (CID 7346149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).