2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide

C18H21NO2 — CID 102395814

IUPAC2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOC(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(16-11-7-4-8-12-16)19-18(20)17(21-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,19,20)/t14-,17?/m0/s1
InChIKeyZCEDTIASQWPMPY-MBIQTGHCSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds6

About 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide

2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 102395814) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID102395814
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
SMILESCOC(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(16-11-7-4-8-12-16)19-18(20)17(21-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,19,20)/t14-,17?/m0/s1
InChIKeyZCEDTIASQWPMPY-MBIQTGHCSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate
CID 67657735
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
2-methoxy-3-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]propanoic acid
CID 23132719
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide (CID 102395814) is 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide is COC(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is ZCEDTIASQWPMPY-MBIQTGHCSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(16-11-7-4-8-12-16)19-18(20)17(21-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,19,20)/t14-,17?/m0/s1.
What are the key properties of 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 283.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 102395814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).