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

C25H27NO3 — CID 92938934

IUPAC(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESC[C@H](COc1ccccc1)N[C@H](C)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-19(17-28-23-11-7-4-8-12-23)26-20(2)25(27)22-13-15-24(16-14-22)29-18-21-9-5-3-6-10-21/h3-16,19-20,26H,17-18H2,1-2H3/t19-,20-/m1/s1
InChIKeyHFVZRDLXEWWXDI-WOJBJXKFSA-N
MW389.50 g/mol
LogP4.89
Rot. Bonds10

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

(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one (PubChem CID 92938934) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
PubChem CID92938934
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESC[C@H](COc1ccccc1)N[C@H](C)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-19(17-28-23-11-7-4-8-12-23)26-20(2)25(27)22-13-15-24(16-14-22)29-18-21-9-5-3-6-10-21/h3-16,19-20,26H,17-18H2,1-2H3/t19-,20-/m1/s1
InChIKeyHFVZRDLXEWWXDI-WOJBJXKFSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one with MolForge

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Related Compounds

2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 69303198
1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
CID 67071566
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
N-methyl-4-phenylmethoxybenzamide
CID 2996745
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-phenylmethoxybenzoic acid
CID 68896574
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one (CID 92938934) is (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one is C[C@H](COc1ccccc1)N[C@H](C)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is HFVZRDLXEWWXDI-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H27NO3/c1-19(17-28-23-11-7-4-8-12-23)26-20(2)25(27)22-13-15-24(16-14-22)29-18-21-9-5-3-6-10-21/h3-16,19-20,26H,17-18H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one?
(2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 389.50 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-1-phenoxypropan-2-yl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 92938934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).