1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea

C12H18N2O3 — CID 108893562

IUPAC1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOCNC(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C12H18N2O3/c1-9(14-12(15)13-8-16-2)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeyPCRSYMJPLVKEPK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.66
Rot. Bonds5

About 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea

1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea (PubChem CID 108893562) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
PubChem CID108893562
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOCNC(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C12H18N2O3/c1-9(14-12(15)13-8-16-2)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,13,14,15)
InChIKeyPCRSYMJPLVKEPK-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108877926
1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893244
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
1-[(E)-2,3-dimethylbut-1-enyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108914630
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
(2S,3R)-3-hydroxy-2-[1-(4-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 104966379

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea (CID 108893562) is 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea is COCNC(=O)NC(C)c1ccc(OC)cc1.
What is the InChIKey of 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is PCRSYMJPLVKEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(14-12(15)13-8-16-2)10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea?
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 238.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108893562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).