1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea

C19H24N2O3 — CID 108893244

IUPAC1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCCc1ccccc1OCNC(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O3/c1-4-15-7-5-6-8-18(15)24-13-20-19(22)21-14(2)16-9-11-17(23-3)12-10-16/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyCFYMINKJTMTYFQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.65
Rot. Bonds7

About 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea

1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea (PubChem CID 108893244) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
PubChem CID108893244
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCCc1ccccc1OCNC(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O3/c1-4-15-7-5-6-8-18(15)24-13-20-19(22)21-14(2)16-9-11-17(23-3)12-10-16/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyCFYMINKJTMTYFQ-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
1-[(2-ethylphenoxy)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108893248
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108877926
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633960
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea (CID 108893244) is 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea is CCc1ccccc1OCNC(=O)NC(C)c1ccc(OC)cc1.
What is the InChIKey of 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is CFYMINKJTMTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-15-7-5-6-8-18(15)24-13-20-19(22)21-14(2)16-9-11-17(23-3)12-10-16/h5-12,14H,4,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108893244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).