1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea

C17H28N2O2 — CID 5047636

IUPAC1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-5-7-11-19(12-8-6-2)17(20)18-15-13-14(3)9-10-16(15)21-4/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20)
InChIKeySTRGJKDKISPFJI-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.44
Rot. Bonds8

About 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea

1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 5047636) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
PubChem CID5047636
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-5-7-11-19(12-8-6-2)17(20)18-15-13-14(3)9-10-16(15)21-4/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20)
InChIKeySTRGJKDKISPFJI-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
2-ethoxy-3-[4-[2-[(2-methoxy-5-methylphenyl)carbamoyl-pentylamino]ethoxy]phenyl]propanoic acid
CID 22234142
3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120344
2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065425
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484
5-[butyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109196079
3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 110902709
1-(2-cyanoethyl)-3-(2-methoxy-5-methylphenyl)-1-methylurea
CID 3859282
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
CID 15137572

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea (CID 5047636) is 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea is CCCCN(CCCC)C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is STRGJKDKISPFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-7-11-19(12-8-6-2)17(20)18-15-13-14(3)9-10-16(15)21-4/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20).
What are the key properties of 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea?
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 292.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 5047636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).