3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea

C17H28N2O — CID 113213255

IUPAC3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-12-19(13-6-2)16(20)18-14-17(3,4)15-10-8-7-9-11-15/h7-11H,5-6,12-14H2,1-4H3,(H,18,20)
InChIKeyPYROAEMZPPIFQZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.80
Rot. Bonds7

About 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea

3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea (PubChem CID 113213255) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
PubChem CID113213255
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-12-19(13-6-2)16(20)18-14-17(3,4)15-10-8-7-9-11-15/h7-11H,5-6,12-14H2,1-4H3,(H,18,20)
InChIKeyPYROAEMZPPIFQZ-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
CID 56540899
1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910334

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea?
The IUPAC name of 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea (CID 113213255) is 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea?
The canonical SMILES for 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea is CCCN(CCC)C(=O)NCC(C)(C)c1ccccc1.
What is the InChIKey of 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea?
The InChIKey is PYROAEMZPPIFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-12-19(13-6-2)16(20)18-14-17(3,4)15-10-8-7-9-11-15/h7-11H,5-6,12-14H2,1-4H3,(H,18,20).
What are the key properties of 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea?
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea has a molecular weight of 276.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea is sourced from PubChem (CID 113213255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).