3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea

C12H18N2O2 — CID 102847778

IUPAC3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
SMILESCOCCc1ccccc1NC(=O)N(C)C
InChIInChI=1S/C12H18N2O2/c1-14(2)12(15)13-11-7-5-4-6-10(11)8-9-16-3/h4-7H,8-9H2,1-3H3,(H,13,15)
InChIKeyGDHNIERTNSVZRM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.97
Rot. Bonds4

About 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea

3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea (PubChem CID 102847778) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
PubChem CID102847778
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
SMILESCOCCc1ccccc1NC(=O)N(C)C
InChIInChI=1S/C12H18N2O2/c1-14(2)12(15)13-11-7-5-4-6-10(11)8-9-16-3/h4-7H,8-9H2,1-3H3,(H,13,15)
InChIKeyGDHNIERTNSVZRM-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
CID 112746849
(E)-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]-4-oxobut-2-enoic acid
CID 102906598
4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102904751
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
CID 102903270
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea (CID 102847778) is 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea is COCCc1ccccc1NC(=O)N(C)C.
What is the InChIKey of 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea?
The InChIKey is GDHNIERTNSVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(2)12(15)13-11-7-5-4-6-10(11)8-9-16-3/h4-7H,8-9H2,1-3H3,(H,13,15).
What are the key properties of 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea?
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea has a molecular weight of 222.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 102847778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).