1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea

C19H32N2O2 — CID 47082413

IUPAC1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea
SMILESCCN(C(=O)NC(C)CCc1ccc(OC)cc1)C(C)C(C)C
InChIInChI=1S/C19H32N2O2/c1-7-21(16(5)14(2)3)19(22)20-15(4)8-9-17-10-12-18(23-6)13-11-17/h10-16H,7-9H2,1-6H3,(H,20,22)
InChIKeyDOAXDFABNOUSBZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.09
Rot. Bonds8

About 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea

1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea (PubChem CID 47082413) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea
PubChem CID47082413
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea
SMILESCCN(C(=O)NC(C)CCc1ccc(OC)cc1)C(C)C(C)C
InChIInChI=1S/C19H32N2O2/c1-7-21(16(5)14(2)3)19(22)20-15(4)8-9-17-10-12-18(23-6)13-11-17/h10-16H,7-9H2,1-6H3,(H,20,22)
InChIKeyDOAXDFABNOUSBZ-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea (CID 47082413) is 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea is CCN(C(=O)NC(C)CCc1ccc(OC)cc1)C(C)C(C)C.
What is the InChIKey of 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea?
The InChIKey is DOAXDFABNOUSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-21(16(5)14(2)3)19(22)20-15(4)8-9-17-10-12-18(23-6)13-11-17/h10-16H,7-9H2,1-6H3,(H,20,22).
What are the key properties of 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea?
1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea has a molecular weight of 320.48 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-methoxyphenyl)butan-2-yl]-1-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 47082413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).