1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea

C32H34N2O — CID 3590389

IUPAC1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea
SMILESCC(C)(C)c1ccc(CN(C(=O)Nc2ccccc2)C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O/c1-32(2,3)28-21-19-26(20-22-28)24-34(31(35)33-29-17-11-6-12-18-29)30(27-15-9-5-10-16-27)23-25-13-7-4-8-14-25/h4-22,30H,23-24H2,1-3H3,(H,33,35)
InChIKeyGYVWKVLDDIZLMY-UHFFFAOYSA-N
MW462.64 g/mol
LogP8.00
Rot. Bonds7

About 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea

1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea (PubChem CID 3590389) has the molecular formula C32H34N2O and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea
PubChem CID3590389
Molecular FormulaC32H34N2O
Molecular Weight462.64 g/mol
Exact Mass462.27
IUPAC Name1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea
SMILESCC(C)(C)c1ccc(CN(C(=O)Nc2ccccc2)C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O/c1-32(2,3)28-21-19-26(20-22-28)24-34(31(35)33-29-17-11-6-12-18-29)30(27-15-9-5-10-16-27)23-25-13-7-4-8-14-25/h4-22,30H,23-24H2,1-3H3,(H,33,35)
InChIKeyGYVWKVLDDIZLMY-UHFFFAOYSA-N
XLogP8.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-(4-methoxyphenyl)urea
CID 42697609
1-[(4-tert-butylphenyl)methyl]-3-(3-fluorophenyl)-1-(1-phenylethyl)urea
CID 42697504
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42696051
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
(2S)-2-[2-(4-tert-butylphenyl)ethylamino]-3-phenylpropanoic acid
CID 122037566
1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139840
2-[[4-[(2R)-3-anilino-2-[4-(4-tert-butylphenyl)phenyl]-3-oxopropyl]benzoyl]amino]ethanesulfonic acid
CID 139427313
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea (CID 3590389) is 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea is CC(C)(C)c1ccc(CN(C(=O)Nc2ccccc2)C(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea?
The InChIKey is GYVWKVLDDIZLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O/c1-32(2,3)28-21-19-26(20-22-28)24-34(31(35)33-29-17-11-6-12-18-29)30(27-15-9-5-10-16-27)23-25-13-7-4-8-14-25/h4-22,30H,23-24H2,1-3H3,(H,33,35).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea?
1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea has a molecular weight of 462.64 g/mol, XLogP of 8.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-phenylurea is sourced from PubChem (CID 3590389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).