1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea

C19H33N3O3 — CID 74226685

IUPAC1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCCCCN(CCCC)CCNC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H33N3O3/c1-5-7-12-22(13-8-6-2)14-11-20-19(23)21-17-10-9-16(24-3)15-18(17)25-4/h9-10,15H,5-8,11-14H2,1-4H3,(H2,20,21,23)
InChIKeyWOTWPXCZVYANRI-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.73
Rot. Bonds12

About 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea

1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea (PubChem CID 74226685) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
PubChem CID74226685
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCCCCN(CCCC)CCNC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H33N3O3/c1-5-7-12-22(13-8-6-2)14-11-20-19(23)21-17-10-9-16(24-3)15-18(17)25-4/h9-10,15H,5-8,11-14H2,1-4H3,(H2,20,21,23)
InChIKeyWOTWPXCZVYANRI-UHFFFAOYSA-N
XLogP3.73
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47987974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea (CID 74226685) is 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea is CCCCN(CCCC)CCNC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is WOTWPXCZVYANRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-5-7-12-22(13-8-6-2)14-11-20-19(23)21-17-10-9-16(24-3)15-18(17)25-4/h9-10,15H,5-8,11-14H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea?
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 351.49 g/mol, XLogP of 3.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 74226685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).