ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate

C19H37N3O4 — CID 10642984

IUPACethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate
SMILESCCOC(=O)N(CCCCN1CCOCC1)CCCCN1CCOCC1
InChIInChI=1S/C19H37N3O4/c1-2-26-19(23)22(9-5-3-7-20-11-15-24-16-12-20)10-6-4-8-21-13-17-25-18-14-21/h2-18H2,1H3
InChIKeyITKXSGOLROIYST-UHFFFAOYSA-N
MW371.52 g/mol
LogP1.67
Rot. Bonds11

About ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate

ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate (PubChem CID 10642984) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate.

Molecular Properties

Compound Nameethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate
PubChem CID10642984
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Nameethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate
SMILESCCOC(=O)N(CCCCN1CCOCC1)CCCCN1CCOCC1
InChIInChI=1S/C19H37N3O4/c1-2-26-19(23)22(9-5-3-7-20-11-15-24-16-12-20)10-6-4-8-21-13-17-25-18-14-21/h2-18H2,1H3
InChIKeyITKXSGOLROIYST-UHFFFAOYSA-N
XLogP1.67
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate?
The IUPAC name of ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate (CID 10642984) is ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate.
What is the SMILES notation for ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate?
The canonical SMILES for ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate is CCOC(=O)N(CCCCN1CCOCC1)CCCCN1CCOCC1.
What is the InChIKey of ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate?
The InChIKey is ITKXSGOLROIYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O4/c1-2-26-19(23)22(9-5-3-7-20-11-15-24-16-12-20)10-6-4-8-21-13-17-25-18-14-21/h2-18H2,1H3.
What are the key properties of ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate?
ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate has a molecular weight of 371.52 g/mol, XLogP of 1.67, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-bis(4-morpholin-4-ylbutyl)carbamate is sourced from PubChem (CID 10642984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).