[(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C28H40N2O3 — CID 14945799

IUPAC[(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H40N2O3/c1-22(2)17-25(20-32-26(31)30-27(3,4)21-33-28(30,5)6)29(18-23-13-9-7-10-14-23)19-24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3/t25-/m0/s1
InChIKeyOLUZYAJDPIXJTI-VWLOTQADSA-N
MW452.64 g/mol
LogP6.09
Rot. Bonds9

About [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 14945799) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID14945799
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC Name[(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H40N2O3/c1-22(2)17-25(20-32-26(31)30-27(3,4)21-33-28(30,5)6)29(18-23-13-9-7-10-14-23)19-24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3/t25-/m0/s1
InChIKeyOLUZYAJDPIXJTI-VWLOTQADSA-N
XLogP6.09
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
3-Allyl-5-(4-benzhydryl-piperazin-1-ylmethyl)-oxazolidin-2-one
CID 76072441
(5R)-3-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591812
(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate
CID 11741417
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-tert-butyl-oxazolidin-2-one
CID 76072442
Choline, iodide, dibenzylcarbamate
CID 115906
2-Oxazolidinone, 3-(diphenylmethyl)-5-(2-propynyloxymethyl)-
CID 211833
(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752749

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 14945799) is [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC(C)C[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is OLUZYAJDPIXJTI-VWLOTQADSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-22(2)17-25(20-32-26(31)30-27(3,4)21-33-28(30,5)6)29(18-23-13-9-7-10-14-23)19-24-15-11-8-12-16-24/h7-16,22,25H,17-21H2,1-6H3/t25-/m0/s1.
What are the key properties of [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 452.64 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(dibenzylamino)-4-methylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14945799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).