[1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate

C23H31NO3 — CID 117068716

IUPAC[1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate
SMILESCC(C)N(CC(COc1ccccc1)OC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C23H31NO3/c1-18(2)24(19(3)4)16-22(17-26-21-13-9-6-10-14-21)27-23(25)15-20-11-7-5-8-12-20/h5-14,18-19,22H,15-17H2,1-4H3
InChIKeyOFALHIWDYWGGFE-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.34
Rot. Bonds10

About [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate

[1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate (PubChem CID 117068716) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate
PubChem CID117068716
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name[1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate
SMILESCC(C)N(CC(COc1ccccc1)OC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C23H31NO3/c1-18(2)24(19(3)4)16-22(17-26-21-13-9-6-10-14-21)27-23(25)15-20-11-7-5-8-12-20/h5-14,18-19,22H,15-17H2,1-4H3
InChIKeyOFALHIWDYWGGFE-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
ethoxybenzene;3-methylbutyl 2-phenylacetate
CID 174913465
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
1-phenylbutan-2-yl 2-phenylacetate
CID 86053968
1-(furan-2-yl)ethyl 2-phenylacetate
CID 14353399
(4-fluoro-3-hydroxybutan-2-yl) 2-phenylacetate
CID 54393447
acetic acid;1-phenoxypropan-2-ol
CID 68567525
2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 59432769

Frequently Asked Questions

What is the IUPAC name of [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate?
The IUPAC name of [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate (CID 117068716) is [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate.
What is the SMILES notation for [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate?
The canonical SMILES for [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate is CC(C)N(CC(COc1ccccc1)OC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate?
The InChIKey is OFALHIWDYWGGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-18(2)24(19(3)4)16-22(17-26-21-13-9-6-10-14-21)27-23(25)15-20-11-7-5-8-12-20/h5-14,18-19,22H,15-17H2,1-4H3.
What are the key properties of [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate?
[1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate has a molecular weight of 369.50 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate is sourced from PubChem (CID 117068716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).