tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate

C21H33NO5 — CID 59494673

IUPACtert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate
SMILESCOCCCOc1cc(CN(C(=O)OC(C)(C)C)C2CC2)c(C)cc1OC
InChIInChI=1S/C21H33NO5/c1-15-12-18(25-6)19(26-11-7-10-24-5)13-16(15)14-22(17-8-9-17)20(23)27-21(2,3)4/h12-13,17H,7-11,14H2,1-6H3
InChIKeyRYAFMQGYBCZOQZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.32
Rot. Bonds9

About tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate

tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate (PubChem CID 59494673) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate
PubChem CID59494673
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Nametert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate
SMILESCOCCCOc1cc(CN(C(=O)OC(C)(C)C)C2CC2)c(C)cc1OC
InChIInChI=1S/C21H33NO5/c1-15-12-18(25-6)19(26-11-7-10-24-5)13-16(15)14-22(17-8-9-17)20(23)27-21(2,3)4/h12-13,17H,7-11,14H2,1-6H3
InChIKeyRYAFMQGYBCZOQZ-UHFFFAOYSA-N
XLogP4.32
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.32
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 tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate (CID 59494673) is tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate is COCCCOc1cc(CN(C(=O)OC(C)(C)C)C2CC2)c(C)cc1OC.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate?
The InChIKey is RYAFMQGYBCZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO5/c1-15-12-18(25-6)19(26-11-7-10-24-5)13-16(15)14-22(17-8-9-17)20(23)27-21(2,3)4/h12-13,17H,7-11,14H2,1-6H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate?
tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate has a molecular weight of 379.50 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]carbamate is sourced from PubChem (CID 59494673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).