1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea

C19H23ClN2O3 — CID 108877926

IUPAC1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCOc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C19H23ClN2O3/c1-12-9-17(10-13(2)18(12)20)25-11-21-19(23)22-14(3)15-5-7-16(24-4)8-6-15/h5-10,14H,11H2,1-4H3,(H2,21,22,23)
InChIKeyLBAWKVPTXCEIIJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.36
Rot. Bonds6

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea (PubChem CID 108877926) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
PubChem CID108877926
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NCOc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C19H23ClN2O3/c1-12-9-17(10-13(2)18(12)20)25-11-21-19(23)22-14(3)15-5-7-16(24-4)8-6-15/h5-10,14H,11H2,1-4H3,(H2,21,22,23)
InChIKeyLBAWKVPTXCEIIJ-UHFFFAOYSA-N
XLogP4.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.36
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

2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
1-benzhydryl-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108877907
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94008271
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea
CID 108877934
1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893244
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43915360
2-(4-bromo-3,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 132763195
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880163

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea (CID 108877926) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea is COc1ccc(C(C)NC(=O)NCOc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is LBAWKVPTXCEIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-12-9-17(10-13(2)18(12)20)25-11-21-19(23)22-14(3)15-5-7-16(24-4)8-6-15/h5-10,14H,11H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea?
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 362.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108877926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).