(3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one

C23H29NO2 — CID 10970195

IUPAC(3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one
SMILESCC(C)[C@@H]([C@@H]1C[C@H](C)C(=O)O1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29NO2/c1-17(2)22(21-14-18(3)23(25)26-21)24(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21-,22-/m0/s1
InChIKeyWGGZVIYWWWNAAW-NYVOZVTQSA-N
MW351.49 g/mol
LogP4.66
Rot. Bonds7

About (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one

(3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one (PubChem CID 10970195) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one
PubChem CID10970195
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one
SMILESCC(C)[C@@H]([C@@H]1C[C@H](C)C(=O)O1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29NO2/c1-17(2)22(21-14-18(3)23(25)26-21)24(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21-,22-/m0/s1
InChIKeyWGGZVIYWWWNAAW-NYVOZVTQSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[Methyl(propan-2-yl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 9996313
5-[[Ethyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 10335510
5-(Diethylaminomethyl)-3,3-diphenyloxolan-2-one;hydrochloride
CID 24183204
Methyl 2-(1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 374576
Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
CID 286120
(1R,2R)-2-(dimethylamino)cyclopentyl 2,2-diphenylacetate
CID 1418153
5-[[Methyl(propyl)amino]methyl]-3,3-diphenyloxolan-2-one
CID 10336323
5-[(4-Benzhydrylpiperazin-1-yl)methyl]-3,3-diethyloxolan-2-one
CID 76329946
Methyl (1S,3S,4R)-2-((1R)-1-phenylethyl)-2-azabicyclo(2.2.1)hept-5-ene-3-carboxylate
CID 11780161
2,5-Dimethyl 1-benzylpyrrolidine-2,5-dicarboxylate
CID 13814299
5-[(Dipropylamino)methyl]-3,3-diphenyloxolan-2-one
CID 10473164
methyl (2S,4S,5R)-4-cyano-1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 44572274

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one?
The IUPAC name of (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one (CID 10970195) is (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one?
The canonical SMILES for (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one is CC(C)[C@@H]([C@@H]1C[C@H](C)C(=O)O1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one?
The InChIKey is WGGZVIYWWWNAAW-NYVOZVTQSA-N. The full InChI is InChI=1S/C23H29NO2/c1-17(2)22(21-14-18(3)23(25)26-21)24(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21-,22-/m0/s1.
What are the key properties of (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one?
(3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one has a molecular weight of 351.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one is sourced from PubChem (CID 10970195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).