3-[(1-methylindole-2-carbonyl)amino]propyl butanoate

C17H22N2O3 — CID 167310044

IUPAC3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
SMILESCCCC(=O)OCCCNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C17H22N2O3/c1-3-7-16(20)22-11-6-10-18-17(21)15-12-13-8-4-5-9-14(13)19(15)2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,21)
InChIKeyLXPQDROKHXBUOD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.64
Rot. Bonds7

About 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate

3-[(1-methylindole-2-carbonyl)amino]propyl butanoate (PubChem CID 167310044) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate.

Molecular Properties

Compound Name3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
PubChem CID167310044
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
SMILESCCCC(=O)OCCCNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C17H22N2O3/c1-3-7-16(20)22-11-6-10-18-17(21)15-12-13-8-4-5-9-14(13)19(15)2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,21)
InChIKeyLXPQDROKHXBUOD-UHFFFAOYSA-N
XLogP2.64
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methylindole-2-carbonyl)amino]propyl benzoate
CID 167310083
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 39314062
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-methylindole-2-carboxamide
CID 91779007
N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide
CID 110833519
(2S)-2-[(1-methylindole-2-carbonyl)amino]hexanoic acid
CID 59453906
N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
CID 71708611
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate?
The IUPAC name of 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate (CID 167310044) is 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate.
What is the SMILES notation for 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate?
The canonical SMILES for 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate is CCCC(=O)OCCCNC(=O)c1cc2ccccc2n1C.
What is the InChIKey of 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate?
The InChIKey is LXPQDROKHXBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-7-16(20)22-11-6-10-18-17(21)15-12-13-8-4-5-9-14(13)19(15)2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,21).
What are the key properties of 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate?
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate has a molecular weight of 302.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindole-2-carbonyl)amino]propyl butanoate is sourced from PubChem (CID 167310044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).