1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

C20H26N2O2 — CID 108880583

IUPAC1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCc1ccc(CNC(=O)NC(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-9-11-19(12-10-18)24-16(4)22-20(23)21-13-17-7-5-15(3)6-8-17/h5-12,14,16H,13H2,1-4H3,(H2,21,22,23)
InChIKeyQHNGWKUYJGTJNL-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.34
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108880583) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID108880583
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCc1ccc(CNC(=O)NC(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-9-11-19(12-10-18)24-16(4)22-20(23)21-13-17-7-5-15(3)6-8-17/h5-12,14,16H,13H2,1-4H3,(H2,21,22,23)
InChIKeyQHNGWKUYJGTJNL-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(hydroxymethyl)phenyl]methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880780
4-[[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]methyl]benzoic acid
CID 108880613
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108880818
methyl 4-[[1-(4-hydroxyphenoxy)ethylcarbamoylamino]methyl]benzoate
CID 108871239
1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880508
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
1-[1-(4-propan-2-ylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108880547
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (CID 108880583) is 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is Cc1ccc(CNC(=O)NC(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is QHNGWKUYJGTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)18-9-11-19(12-10-18)24-16(4)22-20(23)21-13-17-7-5-15(3)6-8-17/h5-12,14,16H,13H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108880583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).