tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate

C25H31NO7 — CID 10504037

IUPACtert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate
SMILESCOc1cc(C[C@@H]2C(=O)O[C@H](c3ccccc3)[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C25H31NO7/c1-25(2,3)33-24(28)26-20-17(23(27)32-21(20)16-10-8-7-9-11-16)12-15-13-18(29-4)22(31-6)19(14-15)30-5/h7-11,13-14,17,20-21H,12H2,1-6H3,(H,26,28)/t17-,20-,21+/m0/s1
InChIKeyBVCSYFVGIZJMQR-DZFGPLHGSA-N
MW457.52 g/mol
LogP4.06
Rot. Bonds7

About tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate

tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate (PubChem CID 10504037) has the molecular formula C25H31NO7 and a molecular weight of 457.52 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate
PubChem CID10504037
Molecular FormulaC25H31NO7
Molecular Weight457.52 g/mol
Exact Mass457.21
IUPAC Nametert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate
SMILESCOc1cc(C[C@@H]2C(=O)O[C@H](c3ccccc3)[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C25H31NO7/c1-25(2,3)33-24(28)26-20-17(23(27)32-21(20)16-10-8-7-9-11-16)12-15-13-18(29-4)22(31-6)19(14-15)30-5/h7-11,13-14,17,20-21H,12H2,1-6H3,(H,26,28)/t17-,20-,21+/m0/s1
InChIKeyBVCSYFVGIZJMQR-DZFGPLHGSA-N
XLogP4.06
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate 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

tert-butyl N-[(3,4,5-trimethoxyphenyl)methylamino]carbamate
CID 107237065
tert-butyl N-[(1S)-1-[(3R,5S)-5-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]-2-phenylethyl]carbamate
CID 54565524
tert-butyl N-[(1R,2R,3R)-2-dimethoxyphosphoryl-3-phenylcyclopropyl]carbamate
CID 11473295
tert-butyl N-[(1S,2R)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-yl]carbamate
CID 11326505
tert-butyl N-[(2R,3S,4Z)-5-oxo-2-phenyl-4-(3-phenylpropylidene)oxolan-3-yl]carbamate
CID 10572648
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl]carbamate
CID 118047704
methyl 2-[(2S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzoxazepin-5-yl]acetate
CID 59863962
3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
tert-butyl (3S,5S,6R)-3-[(2,4-dimethoxy-3-methyl-5-phenylmethoxyphenyl)methyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11621486
(2S)-3-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 71624032
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate (CID 10504037) is tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate is COc1cc(C[C@@H]2C(=O)O[C@H](c3ccccc3)[C@H]2NC(=O)OC(C)(C)C)cc(OC)c1OC.
What is the InChIKey of tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate?
The InChIKey is BVCSYFVGIZJMQR-DZFGPLHGSA-N. The full InChI is InChI=1S/C25H31NO7/c1-25(2,3)33-24(28)26-20-17(23(27)32-21(20)16-10-8-7-9-11-16)12-15-13-18(29-4)22(31-6)19(14-15)30-5/h7-11,13-14,17,20-21H,12H2,1-6H3,(H,26,28)/t17-,20-,21+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate?
tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate has a molecular weight of 457.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S,4S)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]carbamate is sourced from PubChem (CID 10504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).