1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea

C15H24N2O — CID 45366518

IUPAC1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCCC(C)NC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C15H24N2O/c1-6-12(5)16-15(18)17-14-11(4)8-7-9-13(14)10(2)3/h7-10,12H,6H2,1-5H3,(H2,16,17,18)
InChIKeyRFRCGADNABFMRF-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.04
Rot. Bonds4

About 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea

1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 45366518) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID45366518
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCCC(C)NC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C15H24N2O/c1-6-12(5)16-15(18)17-14-11(4)8-7-9-13(14)10(2)3/h7-10,12H,6H2,1-5H3,(H2,16,17,18)
InChIKeyRFRCGADNABFMRF-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 21348423
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
(2S)-4-hydroxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 107825731
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 111754312
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 45366518) is 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea is CCC(C)NC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is RFRCGADNABFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-12(5)16-15(18)17-14-11(4)8-7-9-13(14)10(2)3/h7-10,12H,6H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 248.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 45366518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).