N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide

C14H18N2O — CID 63718611

IUPACN-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O/c1-9(2)10(3)16-14(17)12-4-5-13-11(8-12)6-7-15-13/h4-10,15H,1-3H3,(H,16,17)
InChIKeyFFIKLXVJRIRGBB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.94
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide

N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide (PubChem CID 63718611) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
PubChem CID63718611
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
SMILESCC(C)C(C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O/c1-9(2)10(3)16-14(17)12-4-5-13-11(8-12)6-7-15-13/h4-10,15H,1-3H3,(H,16,17)
InChIKeyFFIKLXVJRIRGBB-UHFFFAOYSA-N
XLogP2.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849
(2R,3S)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381852
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
(2S)-2-(1H-indole-5-carbonylamino)-4-methylpentanoate
CID 7095205
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
CID 63716758

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide (CID 63718611) is N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide is CC(C)C(C)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide?
The InChIKey is FFIKLXVJRIRGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)10(3)16-14(17)12-4-5-13-11(8-12)6-7-15-13/h4-10,15H,1-3H3,(H,16,17).
What are the key properties of N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide?
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63718611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).