1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea

C17H25N5O3 — CID 75398084

IUPAC1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCOCCOCc1cccc(NC(=O)NCCc2n[nH]c(C)n2)c1
InChIInChI=1S/C17H25N5O3/c1-3-24-9-10-25-12-14-5-4-6-15(11-14)20-17(23)18-8-7-16-19-13(2)21-22-16/h4-6,11H,3,7-10,12H2,1-2H3,(H2,18,20,23)(H,19,21,22)
InChIKeyUDWKPSJHZIOTOI-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.03
Rot. Bonds10

About 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea

1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 75398084) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID75398084
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCOCCOCc1cccc(NC(=O)NCCc2n[nH]c(C)n2)c1
InChIInChI=1S/C17H25N5O3/c1-3-24-9-10-25-12-14-5-4-6-15(11-14)20-17(23)18-8-7-16-19-13(2)21-22-16/h4-6,11H,3,7-10,12H2,1-2H3,(H2,18,20,23)(H,19,21,22)
InChIKeyUDWKPSJHZIOTOI-UHFFFAOYSA-N
XLogP2.03
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336928
1-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46354937
N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036692
1-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-phenylurea
CID 46354901
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea
CID 60600945
2-(3-chlorophenyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55806862
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea (CID 75398084) is 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea is CCOCCOCc1cccc(NC(=O)NCCc2n[nH]c(C)n2)c1.
What is the InChIKey of 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is UDWKPSJHZIOTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-24-9-10-25-12-14-5-4-6-15(11-14)20-17(23)18-8-7-16-19-13(2)21-22-16/h4-6,11H,3,7-10,12H2,1-2H3,(H2,18,20,23)(H,19,21,22).
What are the key properties of 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 347.42 g/mol, XLogP of 2.03, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyethoxymethyl)phenyl]-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 75398084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).