[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate

C20H31NO5 — CID 140704596

IUPAC[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCOCCCOc1cc(COC(=O)N(C2CC2)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C20H31NO5/c1-20(2,3)21(16-7-8-16)19(22)26-14-15-11-17(24-5)13-18(12-15)25-10-6-9-23-4/h11-13,16H,6-10,14H2,1-5H3
InChIKeyOHUITUPTQFZVMS-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.01
Rot. Bonds9

About [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate

[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate (PubChem CID 140704596) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate.

Molecular Properties

Compound Name[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
PubChem CID140704596
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Name[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCOCCCOc1cc(COC(=O)N(C2CC2)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C20H31NO5/c1-20(2,3)21(16-7-8-16)19(22)26-14-15-11-17(24-5)13-18(12-15)25-10-6-9-23-4/h11-13,16H,6-10,14H2,1-5H3
InChIKeyOHUITUPTQFZVMS-UHFFFAOYSA-N
XLogP4.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The IUPAC name of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate (CID 140704596) is [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate.
What is the SMILES notation for [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The canonical SMILES for [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate is COCCCOc1cc(COC(=O)N(C2CC2)C(C)(C)C)cc(OC)c1.
What is the InChIKey of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The InChIKey is OHUITUPTQFZVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-20(2,3)21(16-7-8-16)19(22)26-14-15-11-17(24-5)13-18(12-15)25-10-6-9-23-4/h11-13,16H,6-10,14H2,1-5H3.
What are the key properties of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate has a molecular weight of 365.47 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate is sourced from PubChem (CID 140704596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).