N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide

C23H28N2O2 — CID 42704155

IUPACN-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
SMILESCCC(C)C(NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H28N2O2/c1-4-16(3)21(25-22(26)18-10-8-15(2)9-11-18)23(27)24-20-13-12-17-6-5-7-19(17)14-20/h8-14,16,21H,4-7H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyMYEGBZAGVNTBOG-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide

N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide (PubChem CID 42704155) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
PubChem CID42704155
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
SMILESCCC(C)C(NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H28N2O2/c1-4-16(3)21(25-22(26)18-10-8-15(2)9-11-18)23(27)24-20-13-12-17-6-5-7-19(17)14-20/h8-14,16,21H,4-7H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyMYEGBZAGVNTBOG-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide
CID 45076841
N-[(2S,3S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 76851937
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide
CID 42704160
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(4-methylphenyl)propyl]urea
CID 17249377
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 29057320
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 9369295
4-chloro-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxopentan-2-yl]benzamide
CID 134016338
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 2640652
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide (CID 42704155) is N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide is CCC(C)C(NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
The InChIKey is MYEGBZAGVNTBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-16(3)21(25-22(26)18-10-8-15(2)9-11-18)23(27)24-20-13-12-17-6-5-7-19(17)14-20/h8-14,16,21H,4-7H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide?
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 42704155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).