(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide

C26H36N2O3 — CID 122660054

IUPAC(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide
SMILESCC(C)[C@H](C(=O)NCCOCCNC(=O)[C@@H](c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C26H36N2O3/c1-19(2)23(21-11-7-5-8-12-21)25(29)27-15-17-31-18-16-28-26(30)24(20(3)4)22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,27,29)(H,28,30)/t23-,24+
InChIKeyYHRYDNGFKJDWHG-PSWAGMNNSA-N
MW424.59 g/mol
LogP4.11
Rot. Bonds12

About (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide

(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide (PubChem CID 122660054) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide
PubChem CID122660054
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide
SMILESCC(C)[C@H](C(=O)NCCOCCNC(=O)[C@@H](c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C26H36N2O3/c1-19(2)23(21-11-7-5-8-12-21)25(29)27-15-17-31-18-16-28-26(30)24(20(3)4)22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,27,29)(H,28,30)/t23-,24+
InChIKeyYHRYDNGFKJDWHG-PSWAGMNNSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-[2-[2-[(3-methyl-2-phenylbutanoyl)amino]ethoxy]ethyl]-2-phenylbutanamide
CID 122660037
(2S)-3-methyl-N-[5-[[[(2R)-3-methyl-2-phenylbutanoyl]amino]methoxy]pentoxymethyl]-2-phenylbutanamide
CID 122660055
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
(5R)-6-methyl-1-[2-[2-[(5S)-6-methyl-4-oxo-5-phenylheptoxy]ethoxy]ethoxy]-5-phenylheptan-4-one
CID 161483364
N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide
CID 111477366
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide?
The IUPAC name of (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide (CID 122660054) is (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide is CC(C)[C@H](C(=O)NCCOCCNC(=O)[C@@H](c1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide?
The InChIKey is YHRYDNGFKJDWHG-PSWAGMNNSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-19(2)23(21-11-7-5-8-12-21)25(29)27-15-17-31-18-16-28-26(30)24(20(3)4)22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,27,29)(H,28,30)/t23-,24+.
What are the key properties of (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide?
(2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide has a molecular weight of 424.59 g/mol, XLogP of 4.11, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[2-[2-[[(2S)-3-methyl-2-phenylbutanoyl]amino]ethoxy]ethyl]-2-phenylbutanamide is sourced from PubChem (CID 122660054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).