N-butan-2-yl-2-(3-formylindol-1-yl)acetamide

C15H18N2O2 — CID 4255967

IUPACN-butan-2-yl-2-(3-formylindol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-3-11(2)16-15(19)9-17-8-12(10-18)13-6-4-5-7-14(13)17/h4-8,10-11H,3,9H2,1-2H3,(H,16,19)
InChIKeyNHRXOISZFBSVND-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds5

About N-butan-2-yl-2-(3-formylindol-1-yl)acetamide

N-butan-2-yl-2-(3-formylindol-1-yl)acetamide (PubChem CID 4255967) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-formylindol-1-yl)acetamide
PubChem CID4255967
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-butan-2-yl-2-(3-formylindol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-3-11(2)16-15(19)9-17-8-12(10-18)13-6-4-5-7-14(13)17/h4-8,10-11H,3,9H2,1-2H3,(H,16,19)
InChIKeyNHRXOISZFBSVND-UHFFFAOYSA-N
XLogP2.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-butan-2-yl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958381
2-(3-formylindol-1-yl)acetate
CID 3544186
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 161125669
N-[(2S)-butan-2-yl]-2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 93058091
1-[2-(4-methylphenyl)-2-oxoethyl]indole-3-carbaldehyde
CID 176509047
N-butan-2-yl-4-(1-ethylindol-3-yl)butanamide
CID 22522937
2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 804447
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697
N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-formylindol-1-yl)acetamide (CID 4255967) is N-butan-2-yl-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-formylindol-1-yl)acetamide is CCC(C)NC(=O)Cn1cc(C=O)c2ccccc21.
What is the InChIKey of N-butan-2-yl-2-(3-formylindol-1-yl)acetamide?
The InChIKey is NHRXOISZFBSVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11(2)16-15(19)9-17-8-12(10-18)13-6-4-5-7-14(13)17/h4-8,10-11H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-(3-formylindol-1-yl)acetamide?
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 4255967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).