1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea

C19H24N2O3 — CID 108867129

IUPAC1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-14-12-21(13-15-24-2)19(22)20-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyQCVATEDELIXZIQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.48
Rot. Bonds8

About 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea

1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea (PubChem CID 108867129) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
PubChem CID108867129
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-23-14-12-21(13-15-24-2)19(22)20-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyQCVATEDELIXZIQ-UHFFFAOYSA-N
XLogP3.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
CID 154872347
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076137
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea (CID 108867129) is 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea is COCCN(CCOC)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea?
The InChIKey is QCVATEDELIXZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-14-12-21(13-15-24-2)19(22)20-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,20,22).
What are the key properties of 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea?
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 108867129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).