1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea

C16H26N2O3 — CID 86921178

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea
SMILESCCCCCNC(=O)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-5-6-11-17-16(19)18(2)12-13-21-15-9-7-14(20-3)8-10-15/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyAYMYFFHQTBBNHH-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.91
Rot. Bonds9

About 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea

1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea (PubChem CID 86921178) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea
PubChem CID86921178
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea
SMILESCCCCCNC(=O)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-5-6-11-17-16(19)18(2)12-13-21-15-9-7-14(20-3)8-10-15/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyAYMYFFHQTBBNHH-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 108990542
2-[[butylamino-[2-(4-methoxyphenoxy)ethyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111363577
[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 55402588
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
4-methoxy-N-pentylbenzamide
CID 3113360
3-[[2-(4-bromophenoxy)ethyl-methylcarbamoyl]amino]propanoic acid
CID 122019494
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
CID 60545386
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-butoxy-N-hexadecylbenzamide
CID 4936106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea (CID 86921178) is 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea is CCCCCNC(=O)N(C)CCOc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea?
The InChIKey is AYMYFFHQTBBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-5-6-11-17-16(19)18(2)12-13-21-15-9-7-14(20-3)8-10-15/h7-10H,4-6,11-13H2,1-3H3,(H,17,19).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea?
1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea has a molecular weight of 294.40 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea is sourced from PubChem (CID 86921178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).