(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide

C21H27NO — CID 1207292

IUPAC(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-15(2)14-18-10-12-19(13-11-18)16(3)21(23)22-17(4)20-8-6-5-7-9-20/h5-13,15-17H,14H2,1-4H3,(H,22,23)/t16-,17-/m0/s1
InChIKeyBLNIYEIMTLMHGY-IRXDYDNUSA-N
MW309.45 g/mol
LogP4.87
Rot. Bonds6

About (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide

(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 1207292) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID1207292
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-15(2)14-18-10-12-19(13-11-18)16(3)21(23)22-17(4)20-8-6-5-7-9-20/h5-13,15-17H,14H2,1-4H3,(H,22,23)/t16-,17-/m0/s1
InChIKeyBLNIYEIMTLMHGY-IRXDYDNUSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11817897
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2S)-3-methoxy-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
CID 68530815

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide (CID 1207292) is (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide is CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is BLNIYEIMTLMHGY-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H27NO/c1-15(2)14-18-10-12-19(13-11-18)16(3)21(23)22-17(4)20-8-6-5-7-9-20/h5-13,15-17H,14H2,1-4H3,(H,22,23)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide?
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 309.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 1207292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).