1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea

C15H30N4O3 — CID 54237580

IUPAC1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea
SMILESCCCN(C)C(=O)N(CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C15H30N4O3/c1-3-4-16(2)15(20)19(13-17-5-9-21-10-6-17)14-18-7-11-22-12-8-18/h3-14H2,1-2H3
InChIKeyQNQRTOVIQNUYPS-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.33
Rot. Bonds6

About 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea

1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea (PubChem CID 54237580) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea
PubChem CID54237580
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Name1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea
SMILESCCCN(C)C(=O)N(CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C15H30N4O3/c1-3-4-16(2)15(20)19(13-17-5-9-21-10-6-17)14-18-7-11-22-12-8-18/h3-14H2,1-2H3
InChIKeyQNQRTOVIQNUYPS-UHFFFAOYSA-N
XLogP0.33
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea?
The IUPAC name of 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea (CID 54237580) is 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea.
What is the SMILES notation for 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea?
The canonical SMILES for 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea is CCCN(C)C(=O)N(CN1CCOCC1)CN1CCOCC1.
What is the InChIKey of 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea?
The InChIKey is QNQRTOVIQNUYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-3-4-16(2)15(20)19(13-17-5-9-21-10-6-17)14-18-7-11-22-12-8-18/h3-14H2,1-2H3.
What are the key properties of 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea?
1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea has a molecular weight of 314.43 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea is sourced from PubChem (CID 54237580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).