N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide

C15H20N2O — CID 110703838

IUPACN-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide
SMILESCCC(C)NC(=O)Cc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C15H20N2O/c1-4-10(2)17-15(18)9-12-5-6-14-13(8-12)7-11(3)16-14/h5-8,10,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyXUZRZGMTYDPORJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.93
Rot. Bonds4

About N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide

N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide (PubChem CID 110703838) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide
PubChem CID110703838
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide
SMILESCCC(C)NC(=O)Cc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C15H20N2O/c1-4-10(2)17-15(18)9-12-5-6-14-13(8-12)7-11(3)16-14/h5-8,10,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyXUZRZGMTYDPORJ-UHFFFAOYSA-N
XLogP2.93
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide
CID 110703916
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
2-methyl-5-(3-methylbutyl)-1H-indole
CID 135233610
2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide
CID 110675682
N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
CID 110771263
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110308155

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide (CID 110703838) is N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide is CCC(C)NC(=O)Cc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide?
The InChIKey is XUZRZGMTYDPORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-10(2)17-15(18)9-12-5-6-14-13(8-12)7-11(3)16-14/h5-8,10,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide?
N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide is sourced from PubChem (CID 110703838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).