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

C15H24N2O3 — CID 47216355

IUPAC1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
SMILESCCC(C)NC(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-6-10(2)16-15(18)17-11(3)13-8-7-12(19-4)9-14(13)20-5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyGAKZWTPOWXYDKI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds6

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

1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea (PubChem CID 47216355) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
PubChem CID47216355
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
SMILESCCC(C)NC(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-6-10(2)16-15(18)17-11(3)13-8-7-12(19-4)9-14(13)20-5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyGAKZWTPOWXYDKI-UHFFFAOYSA-N
XLogP2.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 43699664
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
N-butan-2-yl-2,4,6-trimethoxybenzamide
CID 110764612
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55929778
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea (CID 47216355) is 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea is CCC(C)NC(=O)NC(C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is GAKZWTPOWXYDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-10(2)16-15(18)17-11(3)13-8-7-12(19-4)9-14(13)20-5/h7-11H,6H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea?
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 47216355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).