1-ethyl-3-propyl-1-prop-2-ynylurea

C9H16N2O — CID 78970040

IUPAC1-ethyl-3-propyl-1-prop-2-ynylurea
SMILESC#CCN(CC)C(=O)NCCC
InChIInChI=1S/C9H16N2O/c1-4-7-10-9(12)11(6-3)8-5-2/h2H,4,6-8H2,1,3H3,(H,10,12)
InChIKeyJBOMCBDDPZHEFL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.06
Rot. Bonds4

About 1-ethyl-3-propyl-1-prop-2-ynylurea

1-ethyl-3-propyl-1-prop-2-ynylurea (PubChem CID 78970040) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethyl-3-propyl-1-prop-2-ynylurea.

Molecular Properties

Compound Name1-ethyl-3-propyl-1-prop-2-ynylurea
PubChem CID78970040
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-ethyl-3-propyl-1-prop-2-ynylurea
SMILESC#CCN(CC)C(=O)NCCC
InChIInChI=1S/C9H16N2O/c1-4-7-10-9(12)11(6-3)8-5-2/h2H,4,6-8H2,1,3H3,(H,10,12)
InChIKeyJBOMCBDDPZHEFL-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474577
1-ethyl-1-(2-ethylbutyl)-3-propylurea
CID 115583094
2-(diethylcarbamoylamino)-N-propylacetamide
CID 115575868
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
2-[3-(methylamino)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79283759
3-(4-chlorophenyl)-1-ethyl-1-prop-2-ynylurea
CID 78969978
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
5-[[ethyl(prop-2-ynyl)carbamoyl]amino]hexanoic acid
CID 82848607
2-ethoxy-N-ethyl-N-prop-2-ynylacetamide
CID 78970728
2-[3-methylsulfonylpropylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79283531
2-[[1-oxo-1-(propylamino)propan-2-yl]-prop-2-ynylamino]acetic acid
CID 79283109

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propyl-1-prop-2-ynylurea?
The IUPAC name of 1-ethyl-3-propyl-1-prop-2-ynylurea (CID 78970040) is 1-ethyl-3-propyl-1-prop-2-ynylurea.
What is the SMILES notation for 1-ethyl-3-propyl-1-prop-2-ynylurea?
The canonical SMILES for 1-ethyl-3-propyl-1-prop-2-ynylurea is C#CCN(CC)C(=O)NCCC.
What is the InChIKey of 1-ethyl-3-propyl-1-prop-2-ynylurea?
The InChIKey is JBOMCBDDPZHEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-7-10-9(12)11(6-3)8-5-2/h2H,4,6-8H2,1,3H3,(H,10,12).
What are the key properties of 1-ethyl-3-propyl-1-prop-2-ynylurea?
1-ethyl-3-propyl-1-prop-2-ynylurea has a molecular weight of 168.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propyl-1-prop-2-ynylurea is sourced from PubChem (CID 78970040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).