N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide

C26H36N2O2 — CID 42703936

IUPACN-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
SMILESCCC(C)C(NC(=O)CC(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36N2O2/c1-5-20(4)25(28-24(29)18-19(2)3)26(30)27-17-16-23(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23,25H,5,16-18H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyZJMCTHUHIOCMLK-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.90
Rot. Bonds11

About N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide

N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide (PubChem CID 42703936) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
PubChem CID42703936
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
SMILESCCC(C)C(NC(=O)CC(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36N2O2/c1-5-20(4)25(28-24(29)18-19(2)3)26(30)27-17-16-23(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23,25H,5,16-18H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyZJMCTHUHIOCMLK-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-2-[(4-ethylphenyl)carbamoylamino]-3-methylpentanamide
CID 3368699
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
CID 42696880
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
3-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-2-phenylpropanoic acid
CID 119255010
2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide
CID 42657080
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
2-chloro-N-[1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 4837433
(2S,3S)-3-methyl-N-(2-phenylethyl)-2-(3-sulfanylpropanoylamino)pentanamide
CID 10403882
N-[(2R)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 2104226
3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
CID 119500815
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide (CID 42703936) is N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide is CCC(C)C(NC(=O)CC(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
The InChIKey is ZJMCTHUHIOCMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-5-20(4)25(28-24(29)18-19(2)3)26(30)27-17-16-23(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23,25H,5,16-18H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide?
N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide has a molecular weight of 408.59 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide is sourced from PubChem (CID 42703936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).