(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide

C25H34N2O3 — CID 100514241

IUPAC(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
SMILESCC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C25H34N2O3/c1-5-23(25(29)26-18-19(2)3)27(16-15-20-9-7-6-8-10-20)24(28)17-21-11-13-22(30-4)14-12-21/h6-14,19,23H,5,15-18H2,1-4H3,(H,26,29)/t23-/m0/s1
InChIKeyFSLCVAHVXGZDML-QHCPKHFHSA-N
MW410.56 g/mol
LogP3.86
Rot. Bonds11

About (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide

(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide (PubChem CID 100514241) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
PubChem CID100514241
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
SMILESCC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C25H34N2O3/c1-5-23(25(29)26-18-19(2)3)27(16-15-20-9-7-6-8-10-20)24(28)17-21-11-13-22(30-4)14-12-21/h6-14,19,23H,5,15-18H2,1-4H3,(H,26,29)/t23-/m0/s1
InChIKeyFSLCVAHVXGZDML-QHCPKHFHSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)butanamide
CID 100502820
(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515352
(2S)-2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100511370
(2R)-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 100501428
(2S)-2-[[2-(N-(4-methoxyphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100511910
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553
2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657500
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 100637034
(2R)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515152
(2S)-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100512390

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
The IUPAC name of (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide (CID 100514241) is (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide is CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
The InChIKey is FSLCVAHVXGZDML-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-23(25(29)26-18-19(2)3)27(16-15-20-9-7-6-8-10-20)24(28)17-21-11-13-22(30-4)14-12-21/h6-14,19,23H,5,15-18H2,1-4H3,(H,26,29)/t23-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide has a molecular weight of 410.56 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 100514241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).