1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea

C13H25N3O3 — CID 106613461

IUPAC1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESCOCCN(CC1CCCN1)C(=O)NC1CCOC1
InChIInChI=1S/C13H25N3O3/c1-18-8-6-16(9-11-3-2-5-14-11)13(17)15-12-4-7-19-10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyJLADNHRCWSHEOL-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.19
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea

1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613461) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613461
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea
SMILESCOCCN(CC1CCCN1)C(=O)NC1CCOC1
InChIInChI=1S/C13H25N3O3/c1-18-8-6-16(9-11-3-2-5-14-11)13(17)15-12-4-7-19-10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyJLADNHRCWSHEOL-UHFFFAOYSA-N
XLogP0.19
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613333
1-cyclopropyl-3-(oxolan-3-yl)-1-(piperidin-2-ylmethyl)urea
CID 106629708
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
2-[2-methoxyethyl(oxan-3-ylcarbamoyl)amino]acetic acid
CID 79270376
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990936
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613441
N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106611455
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea (CID 106613461) is 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea is COCCN(CC1CCCN1)C(=O)NC1CCOC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is JLADNHRCWSHEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-18-8-6-16(9-11-3-2-5-14-11)13(17)15-12-4-7-19-10-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea?
1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 271.36 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(oxolan-3-yl)-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).