1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea

C17H28N2O — CID 3588413

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H28N2O/c1-11(2)10-18-17(20)19-16-14(12(3)4)8-7-9-15(16)13(5)6/h7-9,11-13H,10H2,1-6H3,(H2,18,19,20)
InChIKeyDSGXTJPCCVFOFC-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.71
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea

1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea (PubChem CID 3588413) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
PubChem CID3588413
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C17H28N2O/c1-11(2)10-18-17(20)19-16-14(12(3)4)8-7-9-15(16)13(5)6/h7-9,11-13H,10H2,1-6H3,(H2,18,19,20)
InChIKeyDSGXTJPCCVFOFC-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[(2S)-2-amino-2-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67941886
methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]acetate
CID 162651561
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
CID 108867808
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
CID 3597757
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 21348423
2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea (CID 3588413) is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea?
The InChIKey is DSGXTJPCCVFOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11(2)10-18-17(20)19-16-14(12(3)4)8-7-9-15(16)13(5)6/h7-9,11-13H,10H2,1-6H3,(H2,18,19,20).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea has a molecular weight of 276.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 3588413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).