(2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide

C21H24N2O2 — CID 15548412

IUPAC(2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESCC(C)=C[C@@H]1OC[C@H](c2ccccc2)N1C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16(2)14-20-23(19(15-25-20)17-10-6-4-7-11-17)21(24)22(3)18-12-8-5-9-13-18/h4-14,19-20H,15H2,1-3H3/t19-,20+/m1/s1
InChIKeyLIHZBSXRYPRPLB-UXHICEINSA-N
MW336.44 g/mol
LogP4.61
Rot. Bonds3

About (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide

(2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 15548412) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
PubChem CID15548412
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESCC(C)=C[C@@H]1OC[C@H](c2ccccc2)N1C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16(2)14-20-23(19(15-25-20)17-10-6-4-7-11-17)21(24)22(3)18-12-8-5-9-13-18/h4-14,19-20H,15H2,1-3H3/t19-,20+/m1/s1
InChIKeyLIHZBSXRYPRPLB-UXHICEINSA-N
XLogP4.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,4S)-2-(2-methylprop-1-enyl)-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15548409
(2S,4S)-2-[(2S,3R)-3-ethyl-3-methyloxiran-2-yl]-N-methyl-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
CID 101128972
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
(2S,4S)-2-(2-hydroxy-3-methylbut-3-en-2-yl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide
CID 101128966
(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 92533966
2-diethoxyphosphoryl-1-[(4R)-2-hydroxy-4-phenyl-1,3-oxazolidin-3-yl]ethanone
CID 164604037
tert-butyl (2S,4S)-2-pent-4-enoyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 101106074
(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile
CID 11780247
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
2-tert-butyl-N,3,5-trimethyl-4-oxo-N-phenylimidazolidine-1-carboxamide
CID 135142996
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 120762003

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide (CID 15548412) is (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide is CC(C)=C[C@@H]1OC[C@H](c2ccccc2)N1C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is LIHZBSXRYPRPLB-UXHICEINSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(2)14-20-23(19(15-25-20)17-10-6-4-7-11-17)21(24)22(3)18-12-8-5-9-13-18/h4-14,19-20H,15H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide?
(2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-methyl-2-(2-methylprop-1-enyl)-N,4-diphenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 15548412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).