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

C21H28N2O2 — CID 60541279

IUPAC1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-15(16-10-12-18(13-11-16)21(2,3)4)23-20(24)22-14-17-8-6-7-9-19(17)25-5/h6-13,15H,14H2,1-5H3,(H2,22,23,24)
InChIKeyNILIUGQJGZBKJW-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.55
Rot. Bonds5

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

1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 60541279) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID60541279
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-15(16-10-12-18(13-11-16)21(2,3)4)23-20(24)22-14-17-8-6-7-9-19(17)25-5/h6-13,15H,14H2,1-5H3,(H2,22,23,24)
InChIKeyNILIUGQJGZBKJW-UHFFFAOYSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-[1-(4-tert-butylphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 60541277
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea (CID 60541279) is 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is NILIUGQJGZBKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(16-10-12-18(13-11-16)21(2,3)4)23-20(24)22-14-17-8-6-7-9-19(17)25-5/h6-13,15H,14H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 60541279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).