N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide

C25H32N2O2 — CID 42704160

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide
SMILESCCC(C(=O)NC(C(=O)Nc1ccc2c(c1)CCC2)C(C)CC)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-4-17(3)23(27-24(28)22(5-2)19-10-7-6-8-11-19)25(29)26-21-15-14-18-12-9-13-20(18)16-21/h6-8,10-11,14-17,22-23H,4-5,9,12-13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyIGPXLZJRQFKQGS-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.84
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide (PubChem CID 42704160) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide
PubChem CID42704160
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide
SMILESCCC(C(=O)NC(C(=O)Nc1ccc2c(c1)CCC2)C(C)CC)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-4-17(3)23(27-24(28)22(5-2)19-10-7-6-8-11-19)25(29)26-21-15-14-18-12-9-13-20(18)16-21/h6-8,10-11,14-17,22-23H,4-5,9,12-13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyIGPXLZJRQFKQGS-UHFFFAOYSA-N
XLogP4.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 76851937
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 42704155
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide
CID 45076841
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
CID 40569777
2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
CID 115185813
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 9369295
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749895

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide (CID 42704160) is N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide is CCC(C(=O)NC(C(=O)Nc1ccc2c(c1)CCC2)C(C)CC)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide?
The InChIKey is IGPXLZJRQFKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-17(3)23(27-24(28)22(5-2)19-10-7-6-8-11-19)25(29)26-21-15-14-18-12-9-13-20(18)16-21/h6-8,10-11,14-17,22-23H,4-5,9,12-13H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide has a molecular weight of 392.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide is sourced from PubChem (CID 42704160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).