1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea

C19H29N3O3 — CID 56801143

IUPAC1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea
SMILESCC(NC(=O)N(C)CC1CCCO1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-15(20-19(23)21(2)14-18-4-3-11-25-18)16-5-7-17(8-6-16)22-9-12-24-13-10-22/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyVVJCHPWLNLPPQZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.40
Rot. Bonds5

About 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea

1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 56801143) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea
PubChem CID56801143
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea
SMILESCC(NC(=O)N(C)CC1CCCO1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-15(20-19(23)21(2)14-18-4-3-11-25-18)16-5-7-17(8-6-16)22-9-12-24-13-10-22/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23)
InChIKeyVVJCHPWLNLPPQZ-UHFFFAOYSA-N
XLogP2.40
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea (CID 56801143) is 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea is CC(NC(=O)N(C)CC1CCCO1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea?
The InChIKey is VVJCHPWLNLPPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(20-19(23)21(2)14-18-4-3-11-25-18)16-5-7-17(8-6-16)22-9-12-24-13-10-22/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23).
What are the key properties of 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea?
1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea has a molecular weight of 347.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 56801143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).