2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide

C23H28N2O2 — CID 53093637

IUPAC2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O2/c1-4-18(5-2)22(26)24-15-17-8-11-21-20(14-17)12-13-25(21)23(27)19-9-6-16(3)7-10-19/h6-11,14,18H,4-5,12-13,15H2,1-3H3,(H,24,26)
InChIKeyBTJQYVPZWFIQHP-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.25
Rot. Bonds6

About 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide

2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide (PubChem CID 53093637) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
PubChem CID53093637
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O2/c1-4-18(5-2)22(26)24-15-17-8-11-21-20(14-17)12-13-25(21)23(27)19-9-6-16(3)7-10-19/h6-11,14,18H,4-5,12-13,15H2,1-3H3,(H,24,26)
InChIKeyBTJQYVPZWFIQHP-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
CID 53099492
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
CID 53093735
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
1-(2-chlorophenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099435
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide (CID 53093637) is 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide is CCC(CC)C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide?
The InChIKey is BTJQYVPZWFIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-18(5-2)22(26)24-15-17-8-11-21-20(14-17)12-13-25(21)23(27)19-9-6-16(3)7-10-19/h6-11,14,18H,4-5,12-13,15H2,1-3H3,(H,24,26).
What are the key properties of 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide?
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide has a molecular weight of 364.49 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide is sourced from PubChem (CID 53093637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).