1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea

C20H26N2O2 — CID 113213293

IUPAC1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)24-18-12-10-17(11-13-18)22-19(23)21-14-20(3,4)16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H2,21,22,23)
InChIKeyXSNDYXYFXLRBNC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.57
Rot. Bonds6

About 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea

1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 113213293) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
PubChem CID113213293
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)24-18-12-10-17(11-13-18)22-19(23)21-14-20(3,4)16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H2,21,22,23)
InChIKeyXSNDYXYFXLRBNC-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea
CID 112972774
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 111578950
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 79791702
3-methyl-4-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 81065816
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea (CID 113213293) is 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is XSNDYXYFXLRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)24-18-12-10-17(11-13-18)22-19(23)21-14-20(3,4)16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 326.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 113213293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).