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

C15H25N3O3 — CID 58817803

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
SMILESCOc1ccc(CNC(=O)NCCCN(C)C)c(OC)c1
InChIInChI=1S/C15H25N3O3/c1-18(2)9-5-8-16-15(19)17-11-12-6-7-13(20-3)10-14(12)21-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,16,17,19)
InChIKeyWETYNAPDLMCIKB-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.45
Rot. Bonds8

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

1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea (PubChem CID 58817803) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
PubChem CID58817803
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
SMILESCOc1ccc(CNC(=O)NCCCN(C)C)c(OC)c1
InChIInChI=1S/C15H25N3O3/c1-18(2)9-5-8-16-15(19)17-11-12-6-7-13(20-3)10-14(12)21-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,16,17,19)
InChIKeyWETYNAPDLMCIKB-UHFFFAOYSA-N
XLogP1.45
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
(2,4-dimethoxyphenyl)methylurea
CID 53362457
3-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66164937
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea (CID 58817803) is 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea is COc1ccc(CNC(=O)NCCCN(C)C)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea?
The InChIKey is WETYNAPDLMCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-18(2)9-5-8-16-15(19)17-11-12-6-7-13(20-3)10-14(12)21-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea?
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea has a molecular weight of 295.38 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea is sourced from PubChem (CID 58817803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).