1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea

C14H30N2O — CID 18735423

IUPAC1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea
SMILESCCCN(CCC(C)(C)C)C(=O)N(CC)CC
InChIInChI=1S/C14H30N2O/c1-7-11-16(12-10-14(4,5)6)13(17)15(8-2)9-3/h7-12H2,1-6H3
InChIKeyXUSOZTVFVKJVEH-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.60
Rot. Bonds6

About 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea

1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea (PubChem CID 18735423) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea
PubChem CID18735423
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea
SMILESCCCN(CCC(C)(C)C)C(=O)N(CC)CC
InChIInChI=1S/C14H30N2O/c1-7-11-16(12-10-14(4,5)6)13(17)15(8-2)9-3/h7-12H2,1-6H3
InChIKeyXUSOZTVFVKJVEH-UHFFFAOYSA-N
XLogP3.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea?
The IUPAC name of 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea (CID 18735423) is 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea is CCCN(CCC(C)(C)C)C(=O)N(CC)CC.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea?
The InChIKey is XUSOZTVFVKJVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-11-16(12-10-14(4,5)6)13(17)15(8-2)9-3/h7-12H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea?
1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea has a molecular weight of 242.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3,3-diethyl-1-propylurea is sourced from PubChem (CID 18735423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).