2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one

C24H25NO2 — CID 69303198

IUPAC2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESCC(N[C@H](C)c1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-18(21-11-7-4-8-12-21)25-19(2)24(26)22-13-15-23(16-14-22)27-17-20-9-5-3-6-10-20/h3-16,18-19,25H,17H2,1-2H3/t18-,19?/m1/s1
InChIKeyGIWXQZDCIALFEF-MRTLOADZSA-N
MW359.47 g/mol
LogP5.19
Rot. Bonds8

About 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one

2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one (PubChem CID 69303198) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
PubChem CID69303198
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESCC(N[C@H](C)c1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-18(21-11-7-4-8-12-21)25-19(2)24(26)22-13-15-23(16-14-22)27-17-20-9-5-3-6-10-20/h3-16,18-19,25H,17H2,1-2H3/t18-,19?/m1/s1
InChIKeyGIWXQZDCIALFEF-MRTLOADZSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 92938934
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
CID 155432915
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
N'-(2,2-diphenylacetyl)-4-phenylmethoxybenzohydrazide
CID 4933138
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one (CID 69303198) is 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one is CC(N[C@H](C)c1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is GIWXQZDCIALFEF-MRTLOADZSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18(21-11-7-4-8-12-21)25-19(2)24(26)22-13-15-23(16-14-22)27-17-20-9-5-3-6-10-20/h3-16,18-19,25H,17H2,1-2H3/t18-,19?/m1/s1.
What are the key properties of 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 359.47 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 69303198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).