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

C14H20N2O3 — CID 6468062

IUPAC1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)C2CCCO2)cc1
InChIInChI=1S/C14H20N2O3/c1-10(13-4-3-9-19-13)15-14(17)16-11-5-7-12(18-2)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H2,15,16,17)
InChIKeySPJHHANONJQISR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.38
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 6468062) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID6468062
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NC(C)C2CCCO2)cc1
InChIInChI=1S/C14H20N2O3/c1-10(13-4-3-9-19-13)15-14(17)16-11-5-7-12(18-2)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H2,15,16,17)
InChIKeySPJHHANONJQISR-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6467333
1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95596162
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944
1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 86862826
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95157998
1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 3246785
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
3-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61193817
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901
1-[2-bromo-4-(trifluoromethoxy)phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97327842
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 6468062) is 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is COc1ccc(NC(=O)NC(C)C2CCCO2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is SPJHHANONJQISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13-4-3-9-19-13)15-14(17)16-11-5-7-12(18-2)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 264.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 6468062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).