1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea

C14H22N2O4 — CID 108869156

IUPAC1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-9-7-16(8-10-19-2)14(17)15-12-5-4-6-13(11-12)20-3/h4-6,11H,7-10H2,1-3H3,(H,15,17)
InChIKeyKTWDWKNJEUXRGQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.82
Rot. Bonds8

About 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea

1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea (PubChem CID 108869156) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
PubChem CID108869156
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-9-7-16(8-10-19-2)14(17)15-12-5-4-6-13(11-12)20-3/h4-6,11H,7-10H2,1-3H3,(H,15,17)
InChIKeyKTWDWKNJEUXRGQ-UHFFFAOYSA-N
XLogP1.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
2-[butyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5115979
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
[3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate
CID 3611617
3-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 63286808
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea (CID 108869156) is 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea is COCCN(CCOC)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea?
The InChIKey is KTWDWKNJEUXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-9-7-16(8-10-19-2)14(17)15-12-5-4-6-13(11-12)20-3/h4-6,11H,7-10H2,1-3H3,(H,15,17).
What are the key properties of 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea?
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea has a molecular weight of 282.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 108869156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).