[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate

C20H25NO3 — CID 11110232

IUPAC[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate
SMILESCC(=O)OC[C@@H](COCc1ccccc1)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-16(19-11-7-4-8-12-19)21-20(15-24-17(2)22)14-23-13-18-9-5-3-6-10-18/h3-12,16,20-21H,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKeyUKONLDSIGQYLRW-OXJNMPFZSA-N
MW327.42 g/mol
LogP3.49
Rot. Bonds9

About [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate

[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate (PubChem CID 11110232) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate
PubChem CID11110232
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate
SMILESCC(=O)OC[C@@H](COCc1ccccc1)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-16(19-11-7-4-8-12-19)21-20(15-24-17(2)22)14-23-13-18-9-5-3-6-10-18/h3-12,16,20-21H,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKeyUKONLDSIGQYLRW-OXJNMPFZSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S,4S)-2,3,4-triacetyloxy-5-phenylmethoxypentyl] acetate
CID 101133703
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
[(2S,5S)-2,5-dimethyl-4-oxo-6-phenylmethoxyhexyl] acetate
CID 10039995
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
CID 10333076
[(2S)-2-phenylpropyl] acetate
CID 10261650
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
(1-chloro-3-phenylmethoxypropan-2-yl)urea
CID 86055606
benzyl acetate
CID 8785
[(2R,4S)-5-acetyloxy-2,4-dimethyl-3-phenylmethoxypentyl] acetate
CID 10853279
butyl (E,2S,6R)-6-methyl-2-[[(1R)-1-phenylethyl]amino]-7-phenylmethoxyhept-4-enoate
CID 102067171

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate?
The IUPAC name of [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate (CID 11110232) is [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate.
What is the SMILES notation for [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate?
The canonical SMILES for [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate is CC(=O)OC[C@@H](COCc1ccccc1)N[C@@H](C)c1ccccc1.
What is the InChIKey of [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate?
The InChIKey is UKONLDSIGQYLRW-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16(19-11-7-4-8-12-19)21-20(15-24-17(2)22)14-23-13-18-9-5-3-6-10-18/h3-12,16,20-21H,13-15H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate?
[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate has a molecular weight of 327.42 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate is sourced from PubChem (CID 11110232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).