1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea

C17H19N3O5 — CID 108893258

IUPAC1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea
SMILESCCc1ccccc1OCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O5/c1-3-12-6-4-5-7-15(12)25-11-18-17(21)19-14-9-8-13(20(22)23)10-16(14)24-2/h4-10H,3,11H2,1-2H3,(H2,18,19,21)
InChIKeyNORWTGDACSDGIE-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.32
Rot. Bonds7

About 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea

1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea (PubChem CID 108893258) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea
PubChem CID108893258
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea
SMILESCCc1ccccc1OCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O5/c1-3-12-6-4-5-7-15(12)25-11-18-17(21)19-14-9-8-13(20(22)23)10-16(14)24-2/h4-10H,3,11H2,1-2H3,(H2,18,19,21)
InChIKeyNORWTGDACSDGIE-UHFFFAOYSA-N
XLogP3.32
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethoxyphenoxy)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108877389
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161
N-[(2-ethylphenyl)methyl]-2-methoxy-4-nitroaniline
CID 62391071
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
1-[(4-ethoxyphenoxy)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108890892
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 17382753
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea?
The IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea (CID 108893258) is 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea?
The canonical SMILES for 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea is CCc1ccccc1OCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea?
The InChIKey is NORWTGDACSDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-12-6-4-5-7-15(12)25-11-18-17(21)19-14-9-8-13(20(22)23)10-16(14)24-2/h4-10H,3,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea?
1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea has a molecular weight of 345.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea is sourced from PubChem (CID 108893258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).