1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea

C17H24N2O3 — CID 86999387

IUPAC1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-4-2-3-13(9-16)10-18-17(20)19(15-5-6-15)11-14-7-8-22-12-14/h2-4,9,14-15H,5-8,10-12H2,1H3,(H,18,20)
InChIKeyPEBNFSCLPUWDJQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.41
Rot. Bonds6

About 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 86999387) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID86999387
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)N(CC2CCOC2)C2CC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-4-2-3-13(9-16)10-18-17(20)19(15-5-6-15)11-14-7-8-22-12-14/h2-4,9,14-15H,5-8,10-12H2,1H3,(H,18,20)
InChIKeyPEBNFSCLPUWDJQ-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 87039140
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
3-(3-benzyl-4-methoxyphenyl)-1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 95595264
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 95284187
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(3-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 109385890
2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97319807
3-[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97319808

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea (CID 86999387) is 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea is COc1cccc(CNC(=O)N(CC2CCOC2)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is PEBNFSCLPUWDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-16-4-2-3-13(9-16)10-18-17(20)19(15-5-6-15)11-14-7-8-22-12-14/h2-4,9,14-15H,5-8,10-12H2,1H3,(H,18,20).
What are the key properties of 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 304.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 86999387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).