1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea

C21H28N2O3 — CID 90598283

IUPAC1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)Nc1ccc(C(C)(C)C)cc1)OC
InChIInChI=1S/C21H28N2O3/c1-21(2,3)15-10-12-16(13-11-15)23-20(24)22-14-19(26-5)17-8-6-7-9-18(17)25-4/h6-13,19H,14H2,1-5H3,(H2,22,23,24)
InChIKeyKCWPNFQDPVMIGK-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.50
Rot. Bonds6

About 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea

1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea (PubChem CID 90598283) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
PubChem CID90598283
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)Nc1ccc(C(C)(C)C)cc1)OC
InChIInChI=1S/C21H28N2O3/c1-21(2,3)15-10-12-16(13-11-15)23-20(24)22-14-19(26-5)17-8-6-7-9-18(17)25-4/h6-13,19H,14H2,1-5H3,(H2,22,23,24)
InChIKeyKCWPNFQDPVMIGK-UHFFFAOYSA-N
XLogP4.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598246
1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
CID 112824759
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 46445537
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90624044
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598995

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea (CID 90598283) is 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1C(CNC(=O)Nc1ccc(C(C)(C)C)cc1)OC.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is KCWPNFQDPVMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-21(2,3)15-10-12-16(13-11-15)23-20(24)22-14-19(26-5)17-8-6-7-9-18(17)25-4/h6-13,19H,14H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea?
1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 356.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 90598283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).