benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate

C21H27NO5 — CID 139748839

IUPACbenzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate
SMILESCOCOc1c(NC(=O)OCc2ccccc2)cc(OC)cc1C(C)(C)C
InChIInChI=1S/C21H27NO5/c1-21(2,3)17-11-16(25-5)12-18(19(17)27-14-24-4)22-20(23)26-13-15-9-7-6-8-10-15/h6-12H,13-14H2,1-5H3,(H,22,23)
InChIKeyUASGZIVBKNEMGH-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.72
Rot. Bonds7

About benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate

benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate (PubChem CID 139748839) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate
PubChem CID139748839
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Namebenzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate
SMILESCOCOc1c(NC(=O)OCc2ccccc2)cc(OC)cc1C(C)(C)C
InChIInChI=1S/C21H27NO5/c1-21(2,3)17-11-16(25-5)12-18(19(17)27-14-24-4)22-20(23)26-13-15-9-7-6-8-10-15/h6-12H,13-14H2,1-5H3,(H,22,23)
InChIKeyUASGZIVBKNEMGH-UHFFFAOYSA-N
XLogP4.72
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate
CID 88935941
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
1-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]-3-(2-hydroxyphenyl)thiourea
CID 139748833
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
CID 91489110
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2,5-dimethoxyanilino)carbamate
CID 141011379
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
benzyl N-[2-(2-aminonaphthalen-1-yl)-4-methoxyphenyl]carbamate
CID 53343709
[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136159

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate?
The IUPAC name of benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate (CID 139748839) is benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate is COCOc1c(NC(=O)OCc2ccccc2)cc(OC)cc1C(C)(C)C.
What is the InChIKey of benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate?
The InChIKey is UASGZIVBKNEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-21(2,3)17-11-16(25-5)12-18(19(17)27-14-24-4)22-20(23)26-13-15-9-7-6-8-10-15/h6-12H,13-14H2,1-5H3,(H,22,23).
What are the key properties of benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate?
benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate has a molecular weight of 373.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate is sourced from PubChem (CID 139748839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).