1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea

C21H22N2O4 — CID 166327902

IUPAC1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
SMILESCCOc1cc(NC(=O)Nc2cc(OC)c3ccccc3c2)ccc1OC
InChIInChI=1S/C21H22N2O4/c1-4-27-20-12-15(9-10-18(20)25-2)22-21(24)23-16-11-14-7-5-6-8-17(14)19(13-16)26-3/h5-13H,4H2,1-3H3,(H2,22,23,24)
InChIKeyNQQSAOMBKWNMSL-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.90
Rot. Bonds6

About 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea

1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea (PubChem CID 166327902) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
PubChem CID166327902
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
SMILESCCOc1cc(NC(=O)Nc2cc(OC)c3ccccc3c2)ccc1OC
InChIInChI=1S/C21H22N2O4/c1-4-27-20-12-15(9-10-18(20)25-2)22-21(24)23-16-11-14-7-5-6-8-17(14)19(13-16)26-3/h5-13H,4H2,1-3H3,(H2,22,23,24)
InChIKeyNQQSAOMBKWNMSL-UHFFFAOYSA-N
XLogP4.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
1-(9-ethylcarbazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330748
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea (CID 166327902) is 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea is CCOc1cc(NC(=O)Nc2cc(OC)c3ccccc3c2)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea?
The InChIKey is NQQSAOMBKWNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-27-20-12-15(9-10-18(20)25-2)22-21(24)23-16-11-14-7-5-6-8-17(14)19(13-16)26-3/h5-13H,4H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea?
1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea has a molecular weight of 366.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea is sourced from PubChem (CID 166327902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).