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

C14H22N2O4 — CID 112975595

IUPAC1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-4-5-15-14(17)16-6-7-20-13-9-11(18-2)8-12(10-13)19-3/h8-10H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyQPKPQEZIGHGESA-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.79
Rot. Bonds8

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

1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea (PubChem CID 112975595) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
PubChem CID112975595
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-4-5-15-14(17)16-6-7-20-13-9-11(18-2)8-12(10-13)19-3/h8-10H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyQPKPQEZIGHGESA-UHFFFAOYSA-N
XLogP1.79
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975693
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 112975611
3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
CID 120502387
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea (CID 112975595) is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea is CCCNC(=O)NCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea?
The InChIKey is QPKPQEZIGHGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-5-15-14(17)16-6-7-20-13-9-11(18-2)8-12(10-13)19-3/h8-10H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea?
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea has a molecular weight of 282.34 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea is sourced from PubChem (CID 112975595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).