1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea

C14H22N2O3 — CID 47277958

IUPAC1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
SMILESCCCCNC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-4-5-8-15-14(17)16-10-11-6-7-12(18-2)9-13(11)19-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,15,16,17)
InChIKeyWJMPAJZBGQMYSR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.30
Rot. Bonds7

About 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea

1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea (PubChem CID 47277958) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
PubChem CID47277958
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
SMILESCCCCNC(=O)NCc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-4-5-8-15-14(17)16-10-11-6-7-12(18-2)9-13(11)19-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,15,16,17)
InChIKeyWJMPAJZBGQMYSR-UHFFFAOYSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
3-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66164937
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea (CID 47277958) is 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea is CCCCNC(=O)NCc1ccc(OC)cc1OC.
What is the InChIKey of 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea?
The InChIKey is WJMPAJZBGQMYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-8-15-14(17)16-10-11-6-7-12(18-2)9-13(11)19-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea?
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea has a molecular weight of 266.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 47277958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).