1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea

C15H22N2O4 — CID 6467333

IUPAC1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)C2CCCO2)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-10(13-5-4-8-21-13)16-15(18)17-12-7-6-11(19-2)9-14(12)20-3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H2,16,17,18)
InChIKeyPZJNPTCPMKHASY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea

1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 6467333) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID6467333
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)C2CCCO2)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-10(13-5-4-8-21-13)16-15(18)17-12-7-6-11(19-2)9-14(12)20-3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H2,16,17,18)
InChIKeyPZJNPTCPMKHASY-UHFFFAOYSA-N
XLogP2.39
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 86862826
1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95596162
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-[2-bromo-4-(trifluoromethoxy)phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97327842
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901
(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124830290
3-fluoro-4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63190371
5-fluoro-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198695
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 6467333) is 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is COc1ccc(NC(=O)NC(C)C2CCCO2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is PZJNPTCPMKHASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(13-5-4-8-21-13)16-15(18)17-12-7-6-11(19-2)9-14(12)20-3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 294.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 6467333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).