1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea

C10H19N3O2 — CID 175604171

IUPAC1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea
SMILESC=C(C)C(=O)N(CCC)NC(=O)NCC
InChIInChI=1S/C10H19N3O2/c1-5-7-13(9(14)8(3)4)12-10(15)11-6-2/h3,5-7H2,1-2,4H3,(H2,11,12,15)
InChIKeyDDZUCCTWEWJHFW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.04
Rot. Bonds4

About 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea

1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea (PubChem CID 175604171) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea
PubChem CID175604171
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea
SMILESC=C(C)C(=O)N(CCC)NC(=O)NCC
InChIInChI=1S/C10H19N3O2/c1-5-7-13(9(14)8(3)4)12-10(15)11-6-2/h3,5-7H2,1-2,4H3,(H2,11,12,15)
InChIKeyDDZUCCTWEWJHFW-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea?
The IUPAC name of 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea (CID 175604171) is 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea.
What is the SMILES notation for 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea?
The canonical SMILES for 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea is C=C(C)C(=O)N(CCC)NC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea?
The InChIKey is DDZUCCTWEWJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-7-13(9(14)8(3)4)12-10(15)11-6-2/h3,5-7H2,1-2,4H3,(H2,11,12,15).
What are the key properties of 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea?
1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea has a molecular weight of 213.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea is sourced from PubChem (CID 175604171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).