1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea

C18H26N2O4 — CID 87039140

IUPAC1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
SMILESCOc1ccc(CNC(=O)N(CC2CCOC2)C2CC2)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-16-6-3-14(17(9-16)23-2)10-19-18(21)20(15-4-5-15)11-13-7-8-24-12-13/h3,6,9,13,15H,4-5,7-8,10-12H2,1-2H3,(H,19,21)
InChIKeyYXWCPDONHWPTEL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.41
Rot. Bonds7

About 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 87039140) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID87039140
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
SMILESCOc1ccc(CNC(=O)N(CC2CCOC2)C2CC2)c(OC)c1
InChIInChI=1S/C18H26N2O4/c1-22-16-6-3-14(17(9-16)23-2)10-19-18(21)20(15-4-5-15)11-13-7-8-24-12-13/h3,6,9,13,15H,4-5,7-8,10-12H2,1-2H3,(H,19,21)
InChIKeyYXWCPDONHWPTEL-UHFFFAOYSA-N
XLogP2.41
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645568
3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 95595264
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 111296030
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 95284187

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea (CID 87039140) is 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea is COc1ccc(CNC(=O)N(CC2CCOC2)C2CC2)c(OC)c1.
What is the InChIKey of 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is YXWCPDONHWPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-16-6-3-14(17(9-16)23-2)10-19-18(21)20(15-4-5-15)11-13-7-8-24-12-13/h3,6,9,13,15H,4-5,7-8,10-12H2,1-2H3,(H,19,21).
What are the key properties of 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 334.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 87039140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).