3-tert-butyl-1-ethyl-1-prop-2-enylurea

C10H20N2O — CID 115695087

IUPAC3-tert-butyl-1-ethyl-1-prop-2-enylurea
SMILESC=CCN(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-6-8-12(7-2)9(13)11-10(3,4)5/h6H,1,7-8H2,2-5H3,(H,11,13)
InChIKeyQICARBPFAPBBIR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.00
Rot. Bonds3

About 3-tert-butyl-1-ethyl-1-prop-2-enylurea

3-tert-butyl-1-ethyl-1-prop-2-enylurea (PubChem CID 115695087) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-1-prop-2-enylurea
PubChem CID115695087
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-tert-butyl-1-ethyl-1-prop-2-enylurea
SMILESC=CCN(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-6-8-12(7-2)9(13)11-10(3,4)5/h6H,1,7-8H2,2-5H3,(H,11,13)
InChIKeyQICARBPFAPBBIR-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
3-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821512
1,1-dibutyl-3-tert-butylurea
CID 11413547
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
2-[[2-(tert-butylamino)acetyl]-prop-2-enylamino]acetic acid
CID 79262862
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
CID 62489576
3-tert-butyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 6462165
N-tert-butyl-N',N'-diethylpropanediamide
CID 108951053

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-1-prop-2-enylurea?
The IUPAC name of 3-tert-butyl-1-ethyl-1-prop-2-enylurea (CID 115695087) is 3-tert-butyl-1-ethyl-1-prop-2-enylurea.
What is the SMILES notation for 3-tert-butyl-1-ethyl-1-prop-2-enylurea?
The canonical SMILES for 3-tert-butyl-1-ethyl-1-prop-2-enylurea is C=CCN(CC)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-ethyl-1-prop-2-enylurea?
The InChIKey is QICARBPFAPBBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-8-12(7-2)9(13)11-10(3,4)5/h6H,1,7-8H2,2-5H3,(H,11,13).
What are the key properties of 3-tert-butyl-1-ethyl-1-prop-2-enylurea?
3-tert-butyl-1-ethyl-1-prop-2-enylurea has a molecular weight of 184.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-1-prop-2-enylurea is sourced from PubChem (CID 115695087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).