1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea

C15H24N2O3 — CID 110774827

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea
SMILESCOc1ccc(OC)c(CNC(=O)NCC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)10-17-14(18)16-9-11-8-12(19-4)6-7-13(11)20-5/h6-8H,9-10H2,1-5H3,(H2,16,17,18)
InChIKeyLBVIJJQMNLBDGZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.55
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea

1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea (PubChem CID 110774827) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea
PubChem CID110774827
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea
SMILESCOc1ccc(OC)c(CNC(=O)NCC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)10-17-14(18)16-9-11-8-12(19-4)6-7-13(11)20-5/h6-8H,9-10H2,1-5H3,(H2,16,17,18)
InChIKeyLBVIJJQMNLBDGZ-UHFFFAOYSA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
3-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutanamide
CID 104580454
cis-(1S,2R)-2-N-tert-butyl-1-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1,2-dicarboxamide
CID 46982400
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea (CID 110774827) is 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea is COc1ccc(OC)c(CNC(=O)NCC(C)(C)C)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea?
The InChIKey is LBVIJJQMNLBDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)10-17-14(18)16-9-11-8-12(19-4)6-7-13(11)20-5/h6-8H,9-10H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea?
1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-3-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 110774827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).