N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide

C16H22N2O2 — CID 53093528

IUPACN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
SMILESCC(=O)N1CCc2cc(CNC(=O)CC(C)C)ccc21
InChIInChI=1S/C16H22N2O2/c1-11(2)8-16(20)17-10-13-4-5-15-14(9-13)6-7-18(15)12(3)19/h4-5,9,11H,6-8,10H2,1-3H3,(H,17,20)
InChIKeyFDSMLQHIOSAWCL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds4

About N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide

N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide (PubChem CID 53093528) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
PubChem CID53093528
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
SMILESCC(=O)N1CCc2cc(CNC(=O)CC(C)C)ccc21
InChIInChI=1S/C16H22N2O2/c1-11(2)8-16(20)17-10-13-4-5-15-14(9-13)6-7-18(15)12(3)19/h4-5,9,11H,6-8,10H2,1-3H3,(H,17,20)
InChIKeyFDSMLQHIOSAWCL-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide
CID 53093533
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926
2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093940
3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
CID 53099310
4-(1-acetyl-2,3-dihydroindol-5-yl)-3-(methylamino)butanoic acid
CID 82350735
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352066
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide
CID 53092689

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide (CID 53093528) is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide is CC(=O)N1CCc2cc(CNC(=O)CC(C)C)ccc21.
What is the InChIKey of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide?
The InChIKey is FDSMLQHIOSAWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)8-16(20)17-10-13-4-5-15-14(9-13)6-7-18(15)12(3)19/h4-5,9,11H,6-8,10H2,1-3H3,(H,17,20).
What are the key properties of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide?
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 53093528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).