(2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide

C25H36N2O2 — CID 51355032

IUPAC(2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H36N2O2/c1-6-10-19(2)18-29-23-15-13-22(14-16-23)24(17-27(4)5)26-25(28)20(3)21-11-8-7-9-12-21/h7-9,11-16,19-20,24H,6,10,17-18H2,1-5H3,(H,26,28)/t19?,20-,24-/m0/s1
InChIKeyHIRRPDKPLQSEIP-LZJVKYBRSA-N
MW396.58 g/mol
LogP5.02
Rot. Bonds11

About (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide

(2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide (PubChem CID 51355032) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
PubChem CID51355032
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name(2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H36N2O2/c1-6-10-19(2)18-29-23-15-13-22(14-16-23)24(17-27(4)5)26-25(28)20(3)21-11-8-7-9-12-21/h7-9,11-16,19-20,24H,6,10,17-18H2,1-5H3,(H,26,28)/t19?,20-,24-/m0/s1
InChIKeyHIRRPDKPLQSEIP-LZJVKYBRSA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Tiropramide
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PD-173212
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2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
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N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
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5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide (CID 51355032) is (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide is CCCC(C)COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The InChIKey is HIRRPDKPLQSEIP-LZJVKYBRSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-6-10-19(2)18-29-23-15-13-22(14-16-23)24(17-27(4)5)26-25(28)20(3)21-11-8-7-9-12-21/h7-9,11-16,19-20,24H,6,10,17-18H2,1-5H3,(H,26,28)/t19?,20-,24-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
(2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide has a molecular weight of 396.58 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-(dimethylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 51355032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).