1,1-dibutyl-3-(2,3-dimethylphenyl)urea

C17H28N2O — CID 4157557

IUPAC1,1-dibutyl-3-(2,3-dimethylphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H28N2O/c1-5-7-12-19(13-8-6-2)17(20)18-16-11-9-10-14(3)15(16)4/h9-11H,5-8,12-13H2,1-4H3,(H,18,20)
InChIKeyUDLKXNXWTYTJQQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.74
Rot. Bonds7

About 1,1-dibutyl-3-(2,3-dimethylphenyl)urea

1,1-dibutyl-3-(2,3-dimethylphenyl)urea (PubChem CID 4157557) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,1-dibutyl-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(2,3-dimethylphenyl)urea
PubChem CID4157557
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1,1-dibutyl-3-(2,3-dimethylphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H28N2O/c1-5-7-12-19(13-8-6-2)17(20)18-16-11-9-10-14(3)15(16)4/h9-11H,5-8,12-13H2,1-4H3,(H,18,20)
InChIKeyUDLKXNXWTYTJQQ-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
CID 108515302
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea
CID 110908507
N-butyl-2-[(2,3-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3476329
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
CID 15137572
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
2-[4-[2-[butyl(methyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694641
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1,1-dibutyl-3-(2,3-dimethylphenyl)urea (CID 4157557) is 1,1-dibutyl-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(2,3-dimethylphenyl)urea is CCCCN(CCCC)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 1,1-dibutyl-3-(2,3-dimethylphenyl)urea?
The InChIKey is UDLKXNXWTYTJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-12-19(13-8-6-2)17(20)18-16-11-9-10-14(3)15(16)4/h9-11H,5-8,12-13H2,1-4H3,(H,18,20).
What are the key properties of 1,1-dibutyl-3-(2,3-dimethylphenyl)urea?
1,1-dibutyl-3-(2,3-dimethylphenyl)urea has a molecular weight of 276.42 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 4157557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).