ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate

C19H37N3O4 — CID 10547218

IUPACethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate
SMILESCCOC(=O)N(CCCCN1CCOCC1)CC(C)CN1CCOCC1
InChIInChI=1S/C19H37N3O4/c1-3-26-19(23)22(7-5-4-6-20-8-12-24-13-9-20)17-18(2)16-21-10-14-25-15-11-21/h18H,3-17H2,1-2H3
InChIKeyQUTWIXLTIOEQFV-UHFFFAOYSA-N
MW371.52 g/mol
LogP1.53
Rot. Bonds10

About ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate

ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate (PubChem CID 10547218) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate
PubChem CID10547218
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Nameethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate
SMILESCCOC(=O)N(CCCCN1CCOCC1)CC(C)CN1CCOCC1
InChIInChI=1S/C19H37N3O4/c1-3-26-19(23)22(7-5-4-6-20-8-12-24-13-9-20)17-18(2)16-21-10-14-25-15-11-21/h18H,3-17H2,1-2H3
InChIKeyQUTWIXLTIOEQFV-UHFFFAOYSA-N
XLogP1.53
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 51.53
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-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate?
The IUPAC name of ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate (CID 10547218) is ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate.
What is the SMILES notation for ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate?
The canonical SMILES for ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate is CCOC(=O)N(CCCCN1CCOCC1)CC(C)CN1CCOCC1.
What is the InChIKey of ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate?
The InChIKey is QUTWIXLTIOEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O4/c1-3-26-19(23)22(7-5-4-6-20-8-12-24-13-9-20)17-18(2)16-21-10-14-25-15-11-21/h18H,3-17H2,1-2H3.
What are the key properties of ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate?
ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate has a molecular weight of 371.52 g/mol, XLogP of 1.53, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyl-3-morpholin-4-ylpropyl)-N-(4-morpholin-4-ylbutyl)carbamate is sourced from PubChem (CID 10547218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).