5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone

C19H30N4O2 — CID 143510055

IUPAC5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone
SMILESC=C1NC(=O)C(C)(CC)N1.CNCCc1ccc(NC)c(C(C)=O)c1
InChIInChI=1S/C12H18N2O.C7H12N2O/c1-9(15)11-8-10(6-7-13-2)4-5-12(11)14-3;1-4-7(3)6(10)8-5(2)9-7/h4-5,8,13-14H,6-7H2,1-3H3;9H,2,4H2,1,3H3,(H,8,10)
InChIKeyAABBDHNYMHMRGP-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.04
Rot. Bonds6

About 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone

5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone (PubChem CID 143510055) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone
PubChem CID143510055
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone
SMILESC=C1NC(=O)C(C)(CC)N1.CNCCc1ccc(NC)c(C(C)=O)c1
InChIInChI=1S/C12H18N2O.C7H12N2O/c1-9(15)11-8-10(6-7-13-2)4-5-12(11)14-3;1-4-7(3)6(10)8-5(2)9-7/h4-5,8,13-14H,6-7H2,1-3H3;9H,2,4H2,1,3H3,(H,8,10)
InChIKeyAABBDHNYMHMRGP-UHFFFAOYSA-N
XLogP2.04
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone?
The IUPAC name of 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone (CID 143510055) is 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone.
What is the SMILES notation for 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone?
The canonical SMILES for 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone is C=C1NC(=O)C(C)(CC)N1.CNCCc1ccc(NC)c(C(C)=O)c1.
What is the InChIKey of 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone?
The InChIKey is AABBDHNYMHMRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C7H12N2O/c1-9(15)11-8-10(6-7-13-2)4-5-12(11)14-3;1-4-7(3)6(10)8-5(2)9-7/h4-5,8,13-14H,6-7H2,1-3H3;9H,2,4H2,1,3H3,(H,8,10).
What are the key properties of 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone?
5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone has a molecular weight of 346.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-methylideneimidazolidin-4-one;1-[2-(methylamino)-5-[2-(methylamino)ethyl]phenyl]ethanone is sourced from PubChem (CID 143510055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).