benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate

C24H31NO6 — CID 11640544

IUPACbenzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OCc2ccccc2)[C@@]2(C)CC(OC)O[C@@H]2[C@H](C)O)cc1
InChIInChI=1S/C24H31NO6/c1-17(26)22-24(2,14-21(29-4)31-22)25(15-18-10-12-20(28-3)13-11-18)23(27)30-16-19-8-6-5-7-9-19/h5-13,17,21-22,26H,14-16H2,1-4H3/t17-,21?,22+,24-/m0/s1
InChIKeyLEFDSQYHMCSLGJ-KANQXGDLSA-N
MW429.51 g/mol
LogP3.73
Rot. Bonds8

About benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate

benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 11640544) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID11640544
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Namebenzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OCc2ccccc2)[C@@]2(C)CC(OC)O[C@@H]2[C@H](C)O)cc1
InChIInChI=1S/C24H31NO6/c1-17(26)22-24(2,14-21(29-4)31-22)25(15-18-10-12-20(28-3)13-11-18)23(27)30-16-19-8-6-5-7-9-19/h5-13,17,21-22,26H,14-16H2,1-4H3/t17-,21?,22+,24-/m0/s1
InChIKeyLEFDSQYHMCSLGJ-KANQXGDLSA-N
XLogP3.73
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]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

benzyl N-[(4-methoxyphenyl)methyl]-N-[(3S,4S,5S)-1,4,5-trihydroxy-3-methylhexan-3-yl]carbamate
CID 11604096
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
1-O,1-O-dibenzyl 2-O,3-O-bis[(4-methoxyphenyl)methyl] (2R)-propane-1,1,2,3-tetracarboxylate
CID 177420239
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596354
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
(4-methoxyphenyl)methyl 2-(aminomethyl)-3-methylbutanoate
CID 65217996
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
CID 90285225
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(4-methoxyphenyl)methyl]carbamate
CID 102287259

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate (CID 11640544) is benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CN(C(=O)OCc2ccccc2)[C@@]2(C)CC(OC)O[C@@H]2[C@H](C)O)cc1.
What is the InChIKey of benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is LEFDSQYHMCSLGJ-KANQXGDLSA-N. The full InChI is InChI=1S/C24H31NO6/c1-17(26)22-24(2,14-21(29-4)31-22)25(15-18-10-12-20(28-3)13-11-18)23(27)30-16-19-8-6-5-7-9-19/h5-13,17,21-22,26H,14-16H2,1-4H3/t17-,21?,22+,24-/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate?
benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 429.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-2-[(1S)-1-hydroxyethyl]-5-methoxy-3-methyloxolan-3-yl]-N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 11640544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).