[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate

C19H26N2O6 — CID 27077124

IUPAC[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
SMILESCc1ccc(NC(=O)OC[C@@H]2CCCO2)cc1NC(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C19H26N2O6/c1-13-6-7-14(20-18(22)26-11-15-4-2-8-24-15)10-17(13)21-19(23)27-12-16-5-3-9-25-16/h6-7,10,15-16H,2-5,8-9,11-12H2,1H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeyVNCLHNZOEWWCSR-HOTGVXAUSA-N
MW378.43 g/mol
LogP3.45
Rot. Bonds6

About [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate

[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate (PubChem CID 27077124) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
PubChem CID27077124
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
SMILESCc1ccc(NC(=O)OC[C@@H]2CCCO2)cc1NC(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C19H26N2O6/c1-13-6-7-14(20-18(22)26-11-15-4-2-8-24-15)10-17(13)21-19(23)27-12-16-5-3-9-25-16/h6-7,10,15-16H,2-5,8-9,11-12H2,1H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeyVNCLHNZOEWWCSR-HOTGVXAUSA-N
XLogP3.45
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate with MolForge

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Related Compounds

molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
(2-oxo-1,3-oxathiolan-5-yl)methyl N-[2-methyl-5-[(2-oxo-1,3-oxathiolan-5-yl)methoxycarbonylamino]phenyl]carbamate
CID 102406993
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl N-[2-methyl-5-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxycarbonylamino]phenyl]carbamate
CID 102213790
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309341
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid
CID 19000939
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate
CID 139809079
oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
CID 60568275
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate (CID 27077124) is [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate is Cc1ccc(NC(=O)OC[C@@H]2CCCO2)cc1NC(=O)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate?
The InChIKey is VNCLHNZOEWWCSR-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-13-6-7-14(20-18(22)26-11-15-4-2-8-24-15)10-17(13)21-19(23)27-12-16-5-3-9-25-16/h6-7,10,15-16H,2-5,8-9,11-12H2,1H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate?
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate has a molecular weight of 378.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate is sourced from PubChem (CID 27077124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).