1,1-dibutyl-3-prop-1-en-2-ylurea

C12H24N2O — CID 108910306

IUPAC1,1-dibutyl-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)N(CCCC)CCCC
InChIInChI=1S/C12H24N2O/c1-5-7-9-14(10-8-6-2)12(15)13-11(3)4/h3,5-10H2,1-2,4H3,(H,13,15)
InChIKeyNPUTZXBUFOQKMJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.13
Rot. Bonds7

About 1,1-dibutyl-3-prop-1-en-2-ylurea

1,1-dibutyl-3-prop-1-en-2-ylurea (PubChem CID 108910306) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,1-dibutyl-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1,1-dibutyl-3-prop-1-en-2-ylurea
PubChem CID108910306
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,1-dibutyl-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)N(CCCC)CCCC
InChIInChI=1S/C12H24N2O/c1-5-7-9-14(10-8-6-2)12(15)13-11(3)4/h3,5-10H2,1-2,4H3,(H,13,15)
InChIKeyNPUTZXBUFOQKMJ-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-ethyl-3-propyl-1H-imidazol-2-one
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1-ethyl-4-methyl-2,3-dihydro-1H-imidazol-2-one
CID 81448417
1,1-Dimethyl-3-prop-1-en-2-ylurea
CID 88958871
1-Methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
1,1-Diethyl-3-prop-1-en-2-ylurea
CID 108910320
N-[(dipropylamino)methyl]acetamide;N-ethylprop-1-en-2-amine
CID 143490321
N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
CID 143490425
1-Cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
CID 144956343
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CID 145488721

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-prop-1-en-2-ylurea?
The IUPAC name of 1,1-dibutyl-3-prop-1-en-2-ylurea (CID 108910306) is 1,1-dibutyl-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1,1-dibutyl-3-prop-1-en-2-ylurea?
The canonical SMILES for 1,1-dibutyl-3-prop-1-en-2-ylurea is C=C(C)NC(=O)N(CCCC)CCCC.
What is the InChIKey of 1,1-dibutyl-3-prop-1-en-2-ylurea?
The InChIKey is NPUTZXBUFOQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-9-14(10-8-6-2)12(15)13-11(3)4/h3,5-10H2,1-2,4H3,(H,13,15).
What are the key properties of 1,1-dibutyl-3-prop-1-en-2-ylurea?
1,1-dibutyl-3-prop-1-en-2-ylurea has a molecular weight of 212.34 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).