N-butan-2-yl-2-indol-1-ylpropanamide

C15H20N2O — CID 113233604

IUPACN-butan-2-yl-2-indol-1-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1ccc2ccccc21
InChIInChI=1S/C15H20N2O/c1-4-11(2)16-15(18)12(3)17-10-9-13-7-5-6-8-14(13)17/h5-12H,4H2,1-3H3,(H,16,18)
InChIKeyMECPZJUOLUZLRK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.12
Rot. Bonds4

About N-butan-2-yl-2-indol-1-ylpropanamide

N-butan-2-yl-2-indol-1-ylpropanamide (PubChem CID 113233604) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-butan-2-yl-2-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-indol-1-ylpropanamide
PubChem CID113233604
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-butan-2-yl-2-indol-1-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1ccc2ccccc21
InChIInChI=1S/C15H20N2O/c1-4-11(2)16-15(18)12(3)17-10-9-13-7-5-6-8-14(13)17/h5-12H,4H2,1-3H3,(H,16,18)
InChIKeyMECPZJUOLUZLRK-UHFFFAOYSA-N
XLogP3.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-butan-2-yl]indole
CID 124507288
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide
CID 63637877
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 47137532
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide
CID 16661921
(2S)-N-[(2S)-butan-2-yl]-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)propanamide
CID 961781
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
2-[[2-[[2-(dimethylamino)-3-phenylpropanoyl]amino]-3-indol-1-yl-4-methylpentanoyl]amino]-3-methylpentanoic acid
CID 75583337
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-indol-1-ylpropanamide?
The IUPAC name of N-butan-2-yl-2-indol-1-ylpropanamide (CID 113233604) is N-butan-2-yl-2-indol-1-ylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-indol-1-ylpropanamide?
The canonical SMILES for N-butan-2-yl-2-indol-1-ylpropanamide is CCC(C)NC(=O)C(C)n1ccc2ccccc21.
What is the InChIKey of N-butan-2-yl-2-indol-1-ylpropanamide?
The InChIKey is MECPZJUOLUZLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-11(2)16-15(18)12(3)17-10-9-13-7-5-6-8-14(13)17/h5-12H,4H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-indol-1-ylpropanamide?
N-butan-2-yl-2-indol-1-ylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-indol-1-ylpropanamide is sourced from PubChem (CID 113233604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).