1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea

C20H26N2O5 — CID 112975641

IUPAC1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)cc(OCCNC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C20H26N2O5/c1-24-16-12-17(25-2)14-18(13-16)27-11-10-22-20(23)21-9-8-15-6-4-5-7-19(15)26-3/h4-7,12-14H,8-11H2,1-3H3,(H2,21,22,23)
InChIKeyNMYPTMKHDCJHAC-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.63
Rot. Bonds10

About 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 112975641) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID112975641
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)cc(OCCNC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C20H26N2O5/c1-24-16-12-17(25-2)14-18(13-16)27-11-10-22-20(23)21-9-8-15-6-4-5-7-19(15)26-3/h4-7,12-14H,8-11H2,1-3H3,(H2,21,22,23)
InChIKeyNMYPTMKHDCJHAC-UHFFFAOYSA-N
XLogP2.63
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975693
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 112975641) is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1cc(OC)cc(OCCNC(=O)NCCc2ccccc2OC)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is NMYPTMKHDCJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-24-16-12-17(25-2)14-18(13-16)27-11-10-22-20(23)21-9-8-15-6-4-5-7-19(15)26-3/h4-7,12-14H,8-11H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 374.44 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 112975641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).