(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide

C27H38N2O3 — CID 100515257

IUPAC(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
SMILESCC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C27H38N2O3/c1-6-24(27(31)28-18-20(2)3)29(17-16-22-12-8-7-9-13-22)26(30)19-32-25-15-11-10-14-23(25)21(4)5/h7-15,20-21,24H,6,16-19H2,1-5H3,(H,28,31)/t24-/m1/s1
InChIKeyVEIOXNVWAGWORC-XMMPIXPASA-N
MW438.61 g/mol
LogP4.81
Rot. Bonds12

About (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide

(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide (PubChem CID 100515257) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
PubChem CID100515257
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC Name(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
SMILESCC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C27H38N2O3/c1-6-24(27(31)28-18-20(2)3)29(17-16-22-12-8-7-9-13-22)26(30)19-32-25-15-11-10-14-23(25)21(4)5/h7-15,20-21,24H,6,16-19H2,1-5H3,(H,28,31)/t24-/m1/s1
InChIKeyVEIOXNVWAGWORC-XMMPIXPASA-N
XLogP4.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132713657
2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132667474
(2R)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515152
(2S)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513778
2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 132731767
(2S)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513555
(2R)-2-[[2-(3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515131
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-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132945413
(2R)-2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514313
(2R)-2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513584

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
The IUPAC name of (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide (CID 100515257) is (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide.
What is the SMILES notation for (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
The canonical SMILES for (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide is CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C.
What is the InChIKey of (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
The InChIKey is VEIOXNVWAGWORC-XMMPIXPASA-N. The full InChI is InChI=1S/C27H38N2O3/c1-6-24(27(31)28-18-20(2)3)29(17-16-22-12-8-7-9-13-22)26(30)19-32-25-15-11-10-14-23(25)21(4)5/h7-15,20-21,24H,6,16-19H2,1-5H3,(H,28,31)/t24-/m1/s1.
What are the key properties of (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide?
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide has a molecular weight of 438.61 g/mol, XLogP of 4.81, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 100515257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).