N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide

C16H22N2O2 — CID 63718064

IUPACN-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
SMILESCC(C)COCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O2/c1-12(2)11-20-9-3-7-18-16(19)14-4-5-15-13(10-14)6-8-17-15/h4-6,8,10,12,17H,3,7,9,11H2,1-2H3,(H,18,19)
InChIKeyUOBFZQMACGYWKJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.96
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide

N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide (PubChem CID 63718064) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
PubChem CID63718064
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
SMILESCC(C)COCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O2/c1-12(2)11-20-9-3-7-18-16(19)14-4-5-15-13(10-14)6-8-17-15/h4-6,8,10,12,17H,3,7,9,11H2,1-2H3,(H,18,19)
InChIKeyUOBFZQMACGYWKJ-UHFFFAOYSA-N
XLogP2.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-[3-(2-methylpropoxy)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86907913
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide (CID 63718064) is N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide is CC(C)COCCCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide?
The InChIKey is UOBFZQMACGYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)11-20-9-3-7-18-16(19)14-4-5-15-13(10-14)6-8-17-15/h4-6,8,10,12,17H,3,7,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide?
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 63718064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).