N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide

C26H36N2O3 — CID 5001654

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide
SMILESCc1cc(C(C)(C)C)ccc1OCCCCCC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C26H36N2O3/c1-19-17-21(26(2,3)4)14-15-23(19)31-16-10-6-9-13-24(29)28-22(25(27)30)18-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,17,22H,6,9-10,13,16,18H2,1-4H3,(H2,27,30)(H,28,29)
InChIKeyHCJCBWSEGLGKNC-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.44
Rot. Bonds11

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide (PubChem CID 5001654) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide
PubChem CID5001654
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide
SMILESCc1cc(C(C)(C)C)ccc1OCCCCCC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C26H36N2O3/c1-19-17-21(26(2,3)4)14-15-23(19)31-16-10-6-9-13-24(29)28-22(25(27)30)18-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,17,22H,6,9-10,13,16,18H2,1-4H3,(H2,27,30)(H,28,29)
InChIKeyHCJCBWSEGLGKNC-UHFFFAOYSA-N
XLogP4.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
CID 95158067
4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide
CID 166237555
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide (CID 5001654) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide is Cc1cc(C(C)(C)C)ccc1OCCCCCC(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide?
The InChIKey is HCJCBWSEGLGKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-19-17-21(26(2,3)4)14-15-23(19)31-16-10-6-9-13-24(29)28-22(25(27)30)18-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,17,22H,6,9-10,13,16,18H2,1-4H3,(H2,27,30)(H,28,29).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide has a molecular weight of 424.59 g/mol, XLogP of 4.44, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(4-tert-butyl-2-methylphenoxy)hexanamide is sourced from PubChem (CID 5001654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).